Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
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Tdc | 889 | 4 | 3 months ago | 32 | January 27, 2023 | 34 | mit | Jupyter Notebook | ||
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science | ||||||||||
Dgl Lifesci | 558 | 4 | a year ago | 17 | December 21, 2022 | 25 | apache-2.0 | Python | ||
Python package for graph neural networks in chemistry and biology | ||||||||||
Megnet | 444 | a year ago | 21 | bsd-3-clause | Jupyter Notebook | |||||
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals | ||||||||||
Deepqmc | 308 | 4 months ago | 11 | November 20, 2023 | 2 | mit | Python | |||
Deep learning quantum Monte Carlo for electrons in real space | ||||||||||
Equiformer Pytorch | 207 | 2 months ago | 52 | October 18, 2023 | 1 | mit | Python | |||
Implementation of the Equiformer, SE3/E3 equivariant attention network that reaches new SOTA, and adopted for use by EquiFold for protein folding | ||||||||||
Mldl Md Dynamics | 145 | 3 years ago | ||||||||
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning. | ||||||||||
Drugex | 142 | a year ago | 19 | mit | Python | |||||
Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology | ||||||||||
Clairvoyante | 142 | 3 years ago | bsd-3-clause | Python | ||||||
Clairvoyante: a multi-task convolutional deep neural network for variant calling in Single Molecule Sequencing | ||||||||||
Neuralogic | 84 | 4 months ago | 2 | February 23, 2022 | mit | Java | ||||
Deep relational learning through differentiable logic programming. | ||||||||||
Molscribe | 83 | 6 months ago | 3 | April 06, 2023 | 3 | mit | Python | |||
Robust Molecular Structure Recognition with Image-to-Graph Generation |