{"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/chemdfm-dialogue-foundation-model-for","title":"ChemDFM: A Large Language Foundation Model for Chemistry","arxiv_id":"2401.14818","date":"2024-01-26","proceeding":null,"authors":["Zihan Zhao","Da Ma","Lu Chen","Liangtai Sun","Zihao Li","Yi Xia","Bo Chen","Hongshen Xu","Zichen Zhu","Su Zhu","Shuai Fan","Guodong Shen","Kai Yu","Xin Chen"],"abstract":"Artificial intelligence (AI) has played an increasingly important role in chemical research. However, most models currently used in chemistry are specialist models that require training and tuning for specific tasks. A more generic and efficient solution would be an AI model that could address many tasks and support free-form dialogue in the broad field of chemistry. In its utmost form, such a generalist AI chemist could be referred to as Chemical General Intelligence. Large language models (LLMs) have recently logged tremendous success in the general domain of natural language processing, showing emerging task generalization and free-form dialogue capabilities. However, domain knowledge of chemistry is largely missing when training general-domain LLMs. The lack of such knowledge greatly hinders the performance of generalist LLMs in the field of chemistry. To this end, we develop ChemDFM, a pioneering LLM for chemistry trained on 34B tokens from chemical literature and textbooks, and fine-tuned using 2.7M instructions. As a result, it can understand and reason with chemical knowledge in free-form dialogue. Quantitative evaluations show that ChemDFM significantly surpasses most representative open-source LLMs. It outperforms GPT-4 on a great portion of chemical tasks, despite the substantial size difference. We have open-sourced the inference codes, evaluation datasets, and model weights of ChemDFM on Huggingface (https://huggingface.co/OpenDFM/ChemDFM-v1.0-13B).","url_abs":"https://arxiv.org/abs/2401.14818v5","url_pdf":"https://arxiv.org/pdf/2401.14818v5.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":"chemdfm-dialogue-foundation-model-for","repo_url":"https://github.com/opendfm/chemdfm","is_official":0,"mentioned_in_paper":0,"mentioned_in_github":1,"framework":"pytorch","reach":{"status":"ok","spdx":"Apache-2.0"}}],"tasks":[{"task_slug":"form","task_name":"Form"},{"task_slug":"model","task_name":"model"}],"methods":[{"method_slug":"absolute-position-encodings","method_name":"Absolute Position Encodings"},{"method_slug":"adam","method_name":"Adam"},{"method_slug":"attention","method_name":"Attention"},{"method_slug":"bpe","method_name":"BPE"},{"method_slug":"dense-connections","method_name":"Dense Connections"},{"method_slug":"dropout","method_name":"Dropout"},{"method_slug":"gpt-4","method_name":"GPT-4"},{"method_slug":"label-smoothing","method_name":"Label Smoothing"},{"method_slug":"layer-normalization","method_name":"Layer Normalization"},{"method_slug":"linear-layer","method_name":"Linear Layer"},{"method_slug":"multi-head-attention","method_name":"Multi-Head Attention"},{"method_slug":"position-wise-feed-forward-layer","method_name":"Position-Wise Feed-Forward Layer"},{"method_slug":"residual-connection","method_name":"Residual Connection"},{"method_slug":"softmax","method_name":"Softmax"},{"method_slug":"transformer","method_name":"Transformer"}],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":"https://app.syntology.ai/?focus=2401.14818","mcp":{"get_harvested_code_for_paper":{"arxiv_id":"2401.14818"}},"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":"external:paperswithcode_snapshot_2025-07-28","url":"https://github.com/opendfm/chemdfm","reach":{"status":"ok","spdx":"Apache-2.0"}}],"summary":{"unverified":2},"by_repo_kind":{"listed":{"samples":2,"ran":0,"repositories":1}},"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":"10a9cc89e31baede","entry":"encapsulate_history_and_current_input_into_prompt","repo":"opendfm/chemdfm","repo_kind":"listed","path":"cli_dialogue_inference_demo.py","file_url":"https://github.com/opendfm/chemdfm/blob/HEAD/cli_dialogue_inference_demo.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":"10a9cc89e31baede"}},{"code_sha256_prefix":"36cbf029256c02db","entry":"response","repo":"opendfm/chemdfm","repo_kind":"listed","path":"cli_dialogue_inference_demo.py","file_url":"https://github.com/opendfm/chemdfm/blob/HEAD/cli_dialogue_inference_demo.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":"36cbf029256c02db"}}]},"arxiv_metadata":null,"syntology_extracted_results":null}