Rcpi
Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.
| Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
|---|---|---|---|---|---|---|---|---|---|---|
| Scipipe | 1,010 | 9 months ago | 47 | October 14, 2021 | 51 | mit | Go | |||
| Robust, flexible and resource-efficient pipelines using Go and the commandline | ||||||||||
| Deep_gcns_torch | 940 | 2 years ago | 4 | mit | Python | |||||
| Pytorch Repo for DeepGCNs (ICCV'2019 Oral, TPAMI'2021), DeeperGCN (arXiv'2020) and GNN1000(ICML'2021): https://www.deepgcns.org | ||||||||||
| Tdc | 889 |  | 4 | 4 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 | ||||||||||
| Awesome Cheminformatics | 473 | a year ago | 14 | |||||||
| A curated list of Cheminformatics libraries and software. | ||||||||||
| Cdk | 453 | 19 | 69 | 3 months ago | 17 | August 21, 2023 | 31 | lgpl-2.1 | Java | |
| The Chemistry Development Kit | ||||||||||
| 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 | ||||||||||
| Deepscreen | 85 | 3 years ago | 7 | Python | ||||||
| DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images | ||||||||||
| Sirius | 66 | 5 months ago | 25 | agpl-3.0 | Java | |||||
| SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI) | ||||||||||
| Chembl Downloader | 55 | 3 months ago | 2 | mit | Jupyter Notebook | |||||
| Write reproducible code for getting and processing ChEMBL | ||||||||||
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