Selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Tdc | 889 |  | 4 | 4 months ago | 32 | January 27, 2023 | 34 | mit | Jupyter Notebook | |
| Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
| Selfies | 574 | | 1 | 17 | 5 months ago | 14 | July 14, 2022 | 5 | apache-2.0 | Python |
| Robust representation of semantically constrained graphs, in particular for molecules in chemistry | ||||||||||
| Atom3d | 234 | a year ago | 17 | mit | Python | |||||
| ATOM3D: tasks on molecules in three dimensions | ||||||||||
| Moleculargnn_smiles | 182 | 3 years ago | 5 | apache-2.0 | Python | |||||
| The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules. | ||||||||||
| Mol Instructions | 116 | 5 months ago | apache-2.0 | Python | ||||||
| Mol-Instructions is a Large-Scale Biomolecules Instruction Dataset for Large Language Models. | ||||||||||
| The Photoswitch Dataset | 68 | a year ago | mit | Python | ||||||
| Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/content/articlehtml/2022/sc/d2sc04306h | ||||||||||
| Guthriesolv | 29 | 2 years ago | 5 | cc-by-4.0 | Python | |||||
| Experimental small molecule hydration free energy dataset | ||||||||||
| Molecules_dataset_collection | 26 | 6 years ago | mit | |||||||
| Collection of data sets of molecules for a validation of properties inference | ||||||||||
| Quantumdeepfield_molecule | 26 | 3 years ago | mit | Python | ||||||
| Quantum deep field for molecule | ||||||||||
| Covid 19 Anti Viral Cure Using Deep Reinforcement Learning | 18 | 4 years ago | Python | |||||||
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