{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/crystal-diffusion-variational-autoencoder-for-1","title":"Crystal Diffusion Variational Autoencoder for Periodic Material Generation","arxiv_id":"2110.06197","date":"2021-10-12","proceeding":"ICLR 2022 4","authors":["Tian Xie","Xiang Fu","Octavian-Eugen Ganea","Regina Barzilay","Tommi Jaakkola"],"abstract":"Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic arrangements of atoms: 1) the coordinates must lie in the local energy minimum defined by quantum mechanics, and 2) global stability also requires the structure to follow the complex, yet specific bonding preferences between different atom types. Existing methods fail to incorporate these factors and often lack proper invariances. We propose a Crystal Diffusion Variational Autoencoder (CDVAE) that captures the physical inductive bias of material stability. By learning from the data distribution of stable materials, the decoder generates materials in a diffusion process that moves atomic coordinates towards a lower energy state and updates atom types to satisfy bonding preferences between neighbors. Our model also explicitly encodes interactions across periodic boundaries and respects permutation, translation, rotation, and periodic invariances. We significantly outperform past methods in three tasks: 1) reconstructing the input structure, 2) generating valid, diverse, and realistic materials, and 3) generating materials that optimize a specific property. We also provide several standard datasets and evaluation metrics for the broader machine learning community.","url_abs":"https://arxiv.org/abs/2110.06197v3","url_pdf":"https://arxiv.org/pdf/2110.06197v3.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"crystal-diffusion-variational-autoencoder-for-1","repo_url":"https://github.com/txie-93/cdvae","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"pytorch","reach":null},{"paper_slug":"crystal-diffusion-variational-autoencoder-for-1","repo_url":"https://github.com/cyye001/con-cdvae","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","reach":{"status":"ok","spdx":"MIT"}},{"paper_slug":"crystal-diffusion-variational-autoencoder-for-1","repo_url":"https://github.com/facebookresearch/flowmm","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","reach":null},{"paper_slug":"crystal-diffusion-variational-autoencoder-for-1","repo_url":"https://github.com/knc6/cdvae","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","reach":{"status":"ok","spdx":"MIT"}},{"paper_slug":"crystal-diffusion-variational-autoencoder-for-1","repo_url":"https://github.com/sparks-baird/mp-time-split","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"none","reach":{"status":"ok","spdx":"MIT"}},{"paper_slug":"crystal-diffusion-variational-autoencoder-for-1","repo_url":"https://github.com/symmetryadvantage/wyckofftransformer","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","reach":{"status":"ok","spdx":"Apache-2.0"}}],"tasks":[{"task_slug":"decoder","task_name":"Decoder"},{"task_slug":"inductive-bias","task_name":"Inductive Bias"},{"task_slug":"translation","task_name":"Translation"},{"task_slug":null,"task_name":"valid"}],"methods":[{"method_slug":"diffusion","method_name":"Diffusion"}],"datasets_introduced":[{"slug":"mp20","name":"MP20","full_name":"Metastable crystal structures from Materials Project"}],"methods_introduced":[],"results":[],"syntology":{"atlas_url":"https://app.syntology.ai/?focus=2110.06197","mcp":{"get_harvested_code_for_paper":{"arxiv_id":"2110.06197"}},"developers":"https://syntology.ai/developers","read_at":"2026-09-24T18:15:14+00:00","read_at_is":"when the build read Syntology's graph, not when any sample ran","claim":"Per-sample execution status on synthesized fixtures; not a correctness claim about the paper. Samples come from repositories linked to the paper, official or community; repo_kind says which.","repos":[{"provenance":"deterministic:regex_extraction","url":"https://github.com/txie-93/cdvae","reach":null},{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/facebookresearch/flowmm","reach":null},{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/knc6/cdvae","reach":{"status":"ok","spdx":"MIT"}},{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/symmetryadvantage/wyckofftransformer","reach":{"status":"ok","spdx":"Apache-2.0"}},{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/sparks-baird/mp-time-split","reach":{"status":"ok","spdx":"MIT"}},{"provenance":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/cyye001/con-cdvae","reach":{"status":"ok","spdx":"MIT"}}],"summary":{"ran_draft_wrong":5,"unverified":31},"by_repo_kind":{"official":{"samples":2,"ran":1,"repositories":1},"listed":{"samples":29,"ran":0,"repositories":3},"community":{"samples":5,"ran":4,"repositories":3}},"repo_kind_vocabulary":{"official":"The archive marks this repository official for the paper","named_in_paper":"The archive records that the paper mentions this repository; it is not marked official","listed":"In the archive's code links for this paper, not marked official and not recorded as mentioned in the paper","found_in_text":"Syntology found this repository in the paper's own text; whether it is the authors' implementation is not asserted","community":"Not in the archive's code links for this paper; a community repository Syntology harvested"},"n_pointer_only_for_licence":0,"samples":[{"code_sha256_prefix":"7a500e0992fceda5","entry":"build_mlp","repo":"gabeguo/cdvae_xrd","repo_kind":"community","path":"cdvae/pl_modules/model.py","file_url":"https://github.com/gabeguo/cdvae_xrd/blob/HEAD/cdvae/pl_modules/model.py","link_basis":"first_harvest_node","language":"python","status":"ran_draft_wrong","verification_level":1,"contract_check":"OUTPUT_MISDECLARED","metamorphic_tier":"deterministic","behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"7a500e0992fceda5"}},{"code_sha256_prefix":"2c52dde33acf320d","entry":"generation","repo":"txie-93/cdvae","repo_kind":"official","path":"scripts/evaluate.py","file_url":"https://github.com/txie-93/cdvae/blob/HEAD/scripts/evaluate.py","link_basis":"first_harvest_node","language":"python","status":"ran_draft_wrong","verification_level":1,"contract_check":"OUTPUT_MISDECLARED","metamorphic_tier":"deterministic","behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"2c52dde33acf320d"}},{"code_sha256_prefix":"6bfe2286fd2a1f92","entry":"optimization","repo":"trachote/dp-cdvae","repo_kind":"community","path":"evaluate.py","file_url":"https://github.com/trachote/dp-cdvae/blob/HEAD/evaluate.py","link_basis":"first_harvest_node","language":"python","status":"ran_draft_wrong","verification_level":1,"contract_check":"MISDECLARED","metamorphic_tier":"deterministic","behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"6bfe2286fd2a1f92"}},{"code_sha256_prefix":"ca13c46956b131eb","entry":"replace_hydride_formula","repo":"ixsluo/cond-cdvae","repo_kind":"community","path":"scripts/evaluate.py","file_url":"https://github.com/ixsluo/cond-cdvae/blob/HEAD/scripts/evaluate.py","link_basis":"first_harvest_node","language":"python","status":"ran_draft_wrong","verification_level":1,"contract_check":"OUTPUT_MISDECLARED","metamorphic_tier":"deterministic","behaviour_fingerprint":true,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"ca13c46956b131eb"}},{"code_sha256_prefix":"51f77bb8655afae1","entry":"sample_range","repo":"ixsluo/cond-cdvae","repo_kind":"community","path":"scripts/evaluate.py","file_url":"https://github.com/ixsluo/cond-cdvae/blob/HEAD/scripts/evaluate.py","link_basis":"first_harvest_node","language":"python","status":"ran_draft_wrong","verification_level":1,"contract_check":"OUTPUT_MISDECLARED","metamorphic_tier":"deterministic","behaviour_fingerprint":true,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"51f77bb8655afae1"}},{"code_sha256_prefix":"6a946510479f2069","entry":"abs_cap","repo":"knc6/cdvae","repo_kind":"listed","path":"cdvae/common/data_utils.py","file_url":"https://github.com/knc6/cdvae/blob/HEAD/cdvae/common/data_utils.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"6a946510479f2069"}},{"code_sha256_prefix":"f2619508491644d0","entry":"build_clean_relaxation_condition","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/gene_energy.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/gene_energy.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"f2619508491644d0"}},{"code_sha256_prefix":"d8cfa8a7bd164a1f","entry":"build_combinatorics","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/csp.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/csp.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"d8cfa8a7bd164a1f"}},{"code_sha256_prefix":"2efd8e80003f0994","entry":"build_tokenised_prediction_tensors","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/prediction.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/prediction.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"2efd8e80003f0994"}},{"code_sha256_prefix":"32b725dbd955ba54","entry":"censored_min_mae","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/censored.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/censored.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"32b725dbd955ba54"}},{"code_sha256_prefix":"31604f9db40cac45","entry":"censored_min_nll","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/censored.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/censored.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"31604f9db40cac45"}},{"code_sha256_prefix":"52d4978b57a845eb","entry":"chemical_system_conditioning_dim","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/chemical_system.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/chemical_system.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"52d4978b57a845eb"}},{"code_sha256_prefix":"f1aa000edc093144","entry":"chemical_system_vector","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/chemical_system.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/chemical_system.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"f1aa000edc093144"}},{"code_sha256_prefix":"f5091d700a375822","entry":"chemical_system_vectors","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/chemical_system.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/chemical_system.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"f5091d700a375822"}},{"code_sha256_prefix":"c4974f8a6be0acfa","entry":"composition_conditioning_dim","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/composition.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/composition.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"c4974f8a6be0acfa"}},{"code_sha256_prefix":"3afdb8687fc3cf98","entry":"composition_vector","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/composition.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/composition.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"3afdb8687fc3cf98"}},{"code_sha256_prefix":"5a3de7c294a992b4","entry":"composition_vectors","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/composition.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/composition.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"5a3de7c294a992b4"}},{"code_sha256_prefix":"6205bcf4c0b21416","entry":"data_store","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/paths.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/paths.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"6205bcf4c0b21416"}},{"code_sha256_prefix":"8818ca4313431c50","entry":"expected_min_bias","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/censored.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/censored.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"8818ca4313431c50"}},{"code_sha256_prefix":"23b0f488ae6bc68e","entry":"fib","repo":"sparks-baird/mp-time-split","repo_kind":"listed","path":"src/mp_time_split/core.py","file_url":"https://github.com/sparks-baird/mp-time-split/blob/HEAD/src/mp_time_split/core.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"23b0f488ae6bc68e"}},{"code_sha256_prefix":"7682a09675335624","entry":"filter_supported_tokens","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/prediction.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/prediction.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"7682a09675335624"}},{"code_sha256_prefix":"70341785f156077f","entry":"gene_representations","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/gene_likelihood.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/gene_likelihood.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"70341785f156077f"}},{"code_sha256_prefix":"d48fe570d3e210ff","entry":"get_data_home","repo":"sparks-baird/mp-time-split","repo_kind":"listed","path":"src/mp_time_split/core.py","file_url":"https://github.com/sparks-baird/mp-time-split/blob/HEAD/src/mp_time_split/core.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"d48fe570d3e210ff"}},{"code_sha256_prefix":"00e20379657c554c","entry":"get_env","repo":"knc6/cdvae","repo_kind":"listed","path":"cdvae/common/utils.py","file_url":"https://github.com/knc6/cdvae/blob/HEAD/cdvae/common/utils.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"00e20379657c554c"}},{"code_sha256_prefix":"9a6539ae57f02d7a","entry":"get_file_paths","repo":"ixsluo/cond-cdvae","repo_kind":"community","path":"scripts/compute_metrics.py","file_url":"https://github.com/ixsluo/cond-cdvae/blob/HEAD/scripts/compute_metrics.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"9a6539ae57f02d7a"}},{"code_sha256_prefix":"03f72260a9ea750c","entry":"group_multiplicity_db","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/csp.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/csp.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"03f72260a9ea750c"}},{"code_sha256_prefix":"a9dc0dc92f699021","entry":"log_orderings","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/gene_likelihood.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/gene_likelihood.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"a9dc0dc92f699021"}},{"code_sha256_prefix":"3bc0f40b2f7fd1cc","entry":"mp_time_split","repo":"sparks-baird/mp-time-split","repo_kind":"listed","path":"src/mp_time_split/utils/split.py","file_url":"https://github.com/sparks-baird/mp-time-split/blob/HEAD/src/mp_time_split/utils/split.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"3bc0f40b2f7fd1cc"}},{"code_sha256_prefix":"7d1d1bcb15f1fefe","entry":"optimization","repo":"txie-93/cdvae","repo_kind":"official","path":"scripts/evaluate.py","file_url":"https://github.com/txie-93/cdvae/blob/HEAD/scripts/evaluate.py","link_basis":"first_harvest_node","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"MIT","inline_ok":true,"mcp_get_code":{"code_sha256":"7d1d1bcb15f1fefe"}},{"code_sha256_prefix":"278184a2cd6bed62","entry":"read_config","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/paths.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/paths.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"278184a2cd6bed62"}},{"code_sha256_prefix":"d04319a29ef33c57","entry":"repo_root","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/paths.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/paths.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"d04319a29ef33c57"}},{"code_sha256_prefix":"eb8846d66ef5069d","entry":"service_ops_vectors","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/preprocess_wychoffs.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/preprocess_wychoffs.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"eb8846d66ef5069d"}},{"code_sha256_prefix":"4c607b6dfe2abca6","entry":"start_log_prior","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/gene_likelihood.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/gene_likelihood.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"4c607b6dfe2abca6"}},{"code_sha256_prefix":"dc734da5f9a66136","entry":"start_to_db_key","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/csp.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/csp.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"dc734da5f9a66136"}},{"code_sha256_prefix":"e28290d6a95905bf","entry":"tokeniser_key","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/prediction.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/prediction.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"e28290d6a95905bf"}},{"code_sha256_prefix":"a0fd18cdf3bb9181","entry":"warmup_stable_decay","repo":"symmetryadvantage/wyckofftransformer","repo_kind":"listed","path":"src/wyckoff_transformer/schedules.py","file_url":"https://github.com/symmetryadvantage/wyckofftransformer/blob/HEAD/src/wyckoff_transformer/schedules.py","link_basis":"harvester_set","language":"python","status":"unverified","verification_level":0,"contract_check":null,"metamorphic_tier":null,"behaviour_fingerprint":false,"licence":"Apache-2.0","inline_ok":true,"mcp_get_code":{"code_sha256":"a0fd18cdf3bb9181"}}]},"arxiv_metadata":null,"syntology_extracted_results":null}