Datasets › QM9 › Papers where code ran, page 1

QM9

Papers archive 2025-07-28

papers with a benchmark row: 42 · with a code link: 37 · where Syntology ran a sample: 27 (25 with a run with no instrument failure, 2 where every run was a failure of Syntology's instrument) Syntology

Show: all papers with a benchmark rowonly where code ran (27 of 42 with a benchmark row: 25 with a run with no instrument failure, 2 where every run was a failure of Syntology's instrument)

Syntology We ran code from the paper's repository; we did not run it on this dataset or check it against this dataset's benchmarks.

Page 1 of 1: papers 1 to 27 of the 27 papers with a benchmark row here where Syntology ran at least one harvested sample (25 with a run with no instrument failure, 2 where every run was a failure of Syntology's instrument), newest first by the archive's date (ties by arXiv id). This is a filter on Syntology's record ordered by date only, not a ranking; a run is not a correctness claim. A paper missing from this list is not a recorded non-run: it may have no arXiv id, no harvested code, or only samples that have not run yet.

The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset, not that list; the archive's count for this dataset is 76. The Syntology column is from Syntology's graph, stated per sample; it is not part of any archive number. A line reads “N ran (of which C constructed an object rather than computing a result; K with no instrument failure: H honoured, V violated, P with no contract checked; I where Syntology's instrument failed) · U unverified” (C is a part of N, never taken away from it); the figure “where Syntology's instrument failed” counts failures of Syntology's instrument, not of the code. “Ran” means the sample executed on a synthesized fixture, not that the paper's result was reproduced. When the archive marks a repository official for the paper, the cell starts with that repository's state (the archive's flag, not a verdict on who wrote the code; “community repositories only” when every sample that ran came from a community repository, “official: no sample here; runs from other or unrecorded repositories” when some came from a repository the paper names or has in its text, or from none recorded); hover it for the repositories the samples that ran came from. Syntology's record for this page has not changed since , the first build that kept a record date for it; when this build read Syntology's graph is in the build record.

PaperCodeResultsDateSamples run Syntology
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials 1 1 5 Mar 2025 official (archive's flag): 6 ran · 6 ran (of which 0 constructed an object rather than computing a result; 5 with no instrument failure: 0 honoured, 0 violated, 5 with no contract checked; 1 where Syntology's instrument failed) · 1 unverified (7 pointer-only for licence)
Any2Graph: Deep End-To-End Supervised Graph Prediction With An Optimal Transport Loss 1 4 19 Feb 2024 official (archive's flag): 3 ran · 3 ran (of which 0 constructed an object rather than computing a result; 3 with no instrument failure: 0 honoured, 0 violated, 3 with no contract checked; 0 where Syntology's instrument failed) · 2 unverified (5 pointer-only for licence)
Bayesian Uncertainty for Gradient Aggregation in Multi-Task Learning 1 1 6 Feb 2024 official (archive's flag): 7 ran · 7 ran (of which 0 constructed an object rather than computing a result; 7 with no instrument failure: 0 honoured, 1 violated, 6 with no contract checked; 0 where Syntology's instrument failed) · 1 unverified
Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for 3D Molecule Generation 1 1 27 Nov 2023 official (archive's flag): 1 ran · 1 ran (of which 0 constructed an object rather than computing a result; 1 with no instrument failure: 0 honoured, 0 violated, 1 with no contract checked; 0 where Syntology's instrument failed) · 0 unverified
A Universal Framework for Accurate and Efficient Geometric Deep Learning of Molecular Systems 1 2 19 Nov 2023 official (archive's flag): 2 ran · 3 ran (of which 0 constructed an object rather than computing a result; 2 with no instrument failure: 2 honoured, 0 violated, 0 with no contract checked; 1 where Syntology's instrument failed) · 0 unverified (3 pointer-only for licence)
EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations 2 1 21 Jun 2023 official (archive's flag): 4 ran · 4 ran (of which 0 constructed an object rather than computing a result; 3 with no instrument failure: 1 honoured, 1 violated, 1 with no contract checked; 1 where Syntology's instrument failed) · 1 unverified (2 pointer-only for licence)
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials 3 1 10 Jun 2023 official (archive's flag): 3 ran · 7 ran (of which 0 constructed an object rather than computing a result; 4 with no instrument failure: 0 honoured, 0 violated, 4 with no contract checked; 3 where Syntology's instrument failed) · 0 unverified
Geometric Latent Diffusion Models for 3D Molecule Generation 2 1 2 May 2023 official (archive's flag): 3 ran · 5 ran (of which 0 constructed an object rather than computing a result; 4 with no instrument failure: 0 honoured, 0 violated, 4 with no contract checked; 1 where Syntology's instrument failed) · 4 unverified
Linear-scaling kernels for protein sequences and small molecules outperform deep learning while providing uncertainty quantitation and improved interpretability 2 1 7 Feb 2023 official (archive's flag): 2 ran · 2 ran (of which 0 constructed an object rather than computing a result; 2 with no instrument failure: 0 honoured, 0 violated, 2 with no contract checked; 0 where Syntology's instrument failed) · 0 unverified
Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs 4 1 23 Jun 2022 official (archive's flag): 1 ran · 3 ran (of which 0 constructed an object rather than computing a result; 1 with no instrument failure: 1 honoured, 0 violated, 0 with no contract checked; 2 where Syntology's instrument failed) · 1 unverified
Equivariant Diffusion for Molecule Generation in 3D 4 1 31 Mar 2022 official (archive's flag): 9 ran · 9 ran (of which 0 constructed an object rather than computing a result; 6 with no instrument failure: 0 honoured, 0 violated, 6 with no contract checked; 3 where Syntology's instrument failed) · 4 unverified (8 pointer-only for licence)
Multi-Task Learning as a Bargaining Game 4 1 2 Feb 2022 official: harvested, nothing ran · 1 ran (of which 1 constructed an object rather than computing a result; 1 with no instrument failure: 0 honoured, 0 violated, 1 with no contract checked; 0 where Syntology's instrument failed) · 2 unverified; the one sample that ran constructed an object rather than computing a result (2 pointer-only for licence)
Geometric and Physical Quantities Improve E(3) Equivariant Message Passing 2 1 6 Oct 2021 official: harvested, nothing ran · 3 ran (of which 0 constructed an object rather than computing a result; 3 with no instrument failure: 0 honoured, 0 violated, 3 with no contract checked; 0 where Syntology's instrument failed) · 5 unverified
E(n) Equivariant Graph Neural Networks 5 1 19 Feb 2021 official (archive's flag): 1 ran · 15 ran (of which 7 constructed an object rather than computing a result; 9 with no instrument failure: 1 honoured, 0 violated, 8 with no contract checked; 6 where Syntology's instrument failed) · 0 unverified (7 pointer-only for licence)
Spherical Message Passing for 3D Graph Networks 1 1 9 Feb 2021 official: no sample here; runs from other or unrecorded repositories · 1 ran (of which 0 constructed an object rather than computing a result; 0 with no instrument failure: 0 honoured, 0 violated, 0 with no contract checked; 1 where Syntology's instrument failed) · 0 unverified (1 pointer-only for licence)
Equivariant message passing for the prediction of tensorial properties and molecular spectra 2 1 5 Feb 2021 22 ran (of which 0 constructed an object rather than computing a result; 13 with no instrument failure: 2 honoured, 0 violated, 11 with no contract checked; 9 where Syntology's instrument failed) · 11 unverified
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules 6 1 28 Nov 2020 official (archive's flag): 5 ran · 5 ran (of which 4 constructed an object rather than computing a result; 5 with no instrument failure: 1 honoured, 0 violated, 4 with no contract checked; 0 where Syntology's instrument failed) · 4 unverified (9 pointer-only for licence)
Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties 1 1 26 Sep 2020 official (archive's flag): 3 ran · 3 ran (of which 0 constructed an object rather than computing a result; 2 with no instrument failure: 2 honoured, 0 violated, 0 with no contract checked; 1 where Syntology's instrument failed) · 0 unverified (3 pointer-only for licence)
Directional Message Passing for Molecular Graphs 4 2 6 Mar 2020 official (archive's flag): 1 ran · 8 ran (of which 1 constructed an object rather than computing a result; 8 with no instrument failure: 0 honoured, 0 violated, 8 with no contract checked; 0 where Syntology's instrument failed) · 2 unverified (3 pointer-only for licence)
Strategies for Pre-training Graph Neural Networks 11 1 29 May 2019 official (archive's flag): 7 ran · 13 ran (of which 1 constructed an object rather than computing a result; 9 with no instrument failure: 3 honoured, 0 violated, 6 with no contract checked; 4 where Syntology's instrument failed) · 1 unverified (5 pointer-only for licence)
Analyzing Learned Molecular Representations for Property Prediction 4 1 2 Apr 2019 community repositories only · 14 ran (of which 0 constructed an object rather than computing a result; 14 with no instrument failure: 0 honoured, 0 violated, 14 with no contract checked; 0 where Syntology's instrument failed) · 1 unverified (3 pointer-only for licence)
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 1 2 24 Jun 2018 official (archive's flag): 5 ran · 5 ran (of which 0 constructed an object rather than computing a result; 5 with no instrument failure: 0 honoured, 0 violated, 5 with no contract checked; 0 where Syntology's instrument failed) · 9 unverified
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials 5 2 8 Jun 2018 20 ran (of which 0 constructed an object rather than computing a result; 19 with no instrument failure: 2 honoured, 1 violated, 16 with no contract checked; 1 where Syntology's instrument failed) · 2 unverified (4 pointer-only for licence)
Neural Message Passing for Quantum Chemistry 20 2 4 Apr 2017 community repositories only · 3 ran (of which 0 constructed an object rather than computing a result; 0 with no instrument failure: 0 honoured, 0 violated, 0 with no contract checked; 3 where Syntology's instrument failed) · 0 unverified (1 pointer-only for licence)
Gated Graph Sequence Neural Networks 13 1 17 Nov 2015 9 ran (of which 0 constructed an object rather than computing a result; 9 with no instrument failure: 0 honoured, 0 violated, 9 with no contract checked; 0 where Syntology's instrument failed) · 3 unverified
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals 3 2 official (archive's flag): 9 ran · 9 ran (of which 0 constructed an object rather than computing a result; 9 with no instrument failure: 0 honoured, 0 violated, 9 with no contract checked; 0 where Syntology's instrument failed) · 0 unverified
PhysNet: A Neural Network for Predicting Energies, Forces, Dipole Moments and Partial Charges 6 2 official (archive's flag): 4 ran · 10 ran (of which 0 constructed an object rather than computing a result; 10 with no instrument failure: 1 honoured, 0 violated, 9 with no contract checked; 0 where Syntology's instrument failed) · 3 unverified