Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Equibind | 321 | 2 years ago | 6 | mit | Python | |||||
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein | ||||||||||
Torsional Diffusion | 183 | 7 months ago | 6 | mit | Python | |||||
Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022) | ||||||||||
Geom3d | 75 | 4 months ago | 1 | August 09, 2023 | 3 | mit | Python | |||
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023 | ||||||||||
Geossl | 29 | 9 months ago | mit | Python | ||||||
GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1dvR) | ||||||||||
Graphretro | 29 | 10 months ago | mit | Python | ||||||
Learning Graph Models for Retrosynthesis Prediction (NeurIPS 2021) | ||||||||||
Blmol | 23 | 2 years ago | mit | Python | ||||||
A script for importing molecular geometries into Blender | ||||||||||
Cmiles | 17 | 3 years ago | 2 | November 24, 2020 | 20 | other | Jupyter Notebook | |||
Generate canonical molecule identifiers for quantum chemistry database | ||||||||||
Strainviz | 16 | a year ago | 3 | mit | Tcl | |||||
Strain Visualization for Inherently Strained Organic Molecules | ||||||||||
Moleculesde | 15 | 9 months ago | mit | Python | ||||||
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23 | ||||||||||
Moly | 12 | 2 years ago | 10 | bsd-3-clause | Python | |||||
Molecular Visualization powered by Plotly |