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 row only 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.
A run counts when it is a run with no instrument failure any run, instrument failures included The first hides, in your browser, the papers where every run was a failure of Syntology's instrument; the second shows every paper on this page.
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 2026-09-28 , the first build that kept a record date for it; when this build read Syntology's graph is in the build record .
Paper Code Results Date Samples 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