Tasks SotA Datasets Papers Methods Submit About

Papers With Code 2

A community resource for machine learning research: papers, code, benchmarks, and state-of-the-art results.

Explore

Notable Benchmarks All SotA Datasets Papers Methods

Community

Submit Results About

Data sourced from the PWC Archive (CC-BY-SA 4.0). Built by the community, for the community.

Models/DeeperGCN-DAGNN + Coordinates

DeeperGCN-DAGNN + Coordinates

Reported on 16 benchmarks across 2 tasks · 1 paper · 16 SOTA

Note: results are matched by exact model name. Different papers may use the same name for different model variants.

Methodology8 results

Molecular Property PredictiononMolecule3D val
MAE· 2021-09-30
0.509
best: 0.482 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D val
RMSE· 2021-09-30
0.849
best: 0.749 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D val
Validity· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D val
Validity3D· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D test
MAE· 2021-09-30
0.571
best: 0.483 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D test
RMSE· 2021-09-30
0.961
best: 0.753 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D test
Validity· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Molecular Property PredictiononMolecule3D test
Validity3D· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717

Medical8 results

Atomistic DescriptiononMolecule3D val
MAE· 2021-09-30
0.509
best: 0.482 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D val
RMSE· 2021-09-30
0.849
best: 0.749 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D val
Validity· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D val
Validity3D· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D test
MAE· 2021-09-30
0.571
best: 0.483 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D test
RMSE· 2021-09-30
0.961
best: 0.753 (DeeperGCN-DAGNN + Distance)
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D test
Validity· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717
Atomistic DescriptiononMolecule3D test
Validity3D· 2021-09-30
100
SOTA
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs arXiv:2110.01717