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 | ||||||||||
Reinvent4 | 150 | 3 months ago | apache-2.0 | Python | ||||||
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization. | ||||||||||
Awesome Small Molecule Ml | 148 | 5 months ago | 1 | cc0-1.0 | ||||||
A curated list of resources for machine learning for small-molecule drug discovery | ||||||||||
Ampl | 128 | a month ago | 17 | mit | Jupyter Notebook | |||||
The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery. | ||||||||||
Mol2vec | 103 | 4 years ago | 2 | September 01, 2023 | 2 | bsd-3-clause | Python | |||
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures | ||||||||||
Intro_pharma_ai | 101 | 4 months ago | 2 | other | Jupyter Notebook | |||||
A collection of Jupyter Notebooks that are designed to teach life science students about deep learning. | ||||||||||
Lstm_chem | 91 | 3 years ago | 2 | unlicense | Jupyter Notebook | |||||
Implementation of the paper - Generative Recurrent Networks for De Novo Drug Design. | ||||||||||
Deepscreen | 85 | 3 years ago | 7 | Python | ||||||
DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images | ||||||||||
Deepsmiles | 81 | 1 | 3 years ago | 2 | September 27, 2018 | 5 | mit | Python | ||
DeepSMILES - A variant of SMILES for use in machine-learning | ||||||||||
Clamp | 71 | 5 months ago | other | Python | ||||||
Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language |