| scipipe/scipipe |
1,010 |
|
0 |
0 |
almost 3 years ago |
47 |
October 14, 2021 |
51 |
mit |
Go |
| Robust, flexible and resource-efficient pipelines using Go and the commandline |
| lightaime/deep_gcns_torch |
940 |
|
0 |
0 |
over 3 years ago |
0 |
|
4 |
mit |
Python |
| Pytorch Repo for DeepGCNs (ICCV'2019 Oral, TPAMI'2021), DeeperGCN (arXiv'2020) and GNN1000(ICML'2021): https://www.deepgcns.org |
| mims-harvard/TDC |
889 |
|
0 |
4 |
over 2 years ago |
32 |
January 27, 2023 |
34 |
mit |
Jupyter Notebook |
| Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science |
| awslabs/dgl-lifesci |
558 |
|
0 |
4 |
almost 3 years ago |
17 |
December 21, 2022 |
25 |
apache-2.0 |
Python |
| Python package for graph neural networks in chemistry and biology |
| hsiaoyi0504/awesome-cheminformatics |
473 |
|
0 |
0 |
over 3 years ago |
0 |
|
14 |
|
|
| A curated list of Cheminformatics libraries and software. |
| cdk/cdk |
453 |
|
19 |
69 |
about 2 years ago |
17 |
August 21, 2023 |
31 |
lgpl-2.1 |
Java |
| The Chemistry Development Kit |
| benb111/awesome-small-molecule-ml |
148 |
|
0 |
0 |
over 2 years ago |
0 |
|
1 |
cc0-1.0 |
|
| A curated list of resources for machine learning for small-molecule drug discovery |
| cansyl/DEEPScreen |
85 |
|
0 |
0 |
over 4 years ago |
0 |
|
7 |
|
Python |
| DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images |
| twoXes/awesome-structural-bioinformatics |
78 |
|
0 |
0 |
almost 3 years ago |
0 |
|
0 |
|
Python |
| Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew almond milk latte and read this. |
| boecker-lab/sirius |
66 |
|
0 |
0 |
over 2 years ago |
0 |
|
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) |
