20 dependents
| Package | Description | Downloads/month |
|---|---|---|
| Molecular filtering for drug discovery. | 11K | |
| molfeat - the hub for all your molecular featurizers | 9K | |
| Hierarchical Evaluation of Drug GEnerators tHrOugh riGorous filtration | 8K | |
| Graphium: Scaling molecular GNNs to infinity. | 3K | |
| Foster the development of impactful AI models in drug discovery. | 2K | |
| A single model for all your molecular design tasks | 2K | |
| Machine Learning dataset splitting for life sciences. | 2K | |
| MicrobeRX | 807 | |
| Matcha: Multi-Stage Riemannian Flow Matching for Accurate and Physically Valid M... | 790 | |
| A generative AI framework for 3D molecular generation and data-driven molecular ... | 510 | |
| Curate datasets with ease. | 459 | |
| 400 | ||
| coreason-prism | 264 | |
| Equivariant Flow Matching for Molecular Conformer Generation | 253 | |
| Repository of Quantum Datasets Publicly Available | 226 | |
| A Python package that automatically generates derived variables from a column wi... | 213 | |
| A library for benchmarking poses of 3D SBDD models | 212 | |
| An Open-Source Molecular Alignment Tool | 134 | |
| Graphium: Scaling molecular GNNs to infinity. | 122 | |
| 91 |
