Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "drug-discovery" keyword
Top 1.7% on pypi.org
864 versions - Latest release: 2 months ago - 8 dependent packages - 55 dependent repositories - 24.2 thousand downloads last month - 5,171 stars on GitHub - 4 maintainers
deepchem 2.8.0
Deep learning models for drug discovery, quantum chemistry, and the life sciences.864 versions - Latest release: 2 months ago - 8 dependent packages - 55 dependent repositories - 24.2 thousand downloads last month - 5,171 stars on GitHub - 4 maintainers
tangelo-gc 0.4.2
Tangelo is an open-source Python package maintained by Good Chemistry Company, focusing on the de...9 versions - Latest release: 5 months ago - 82 downloads last month - 94 stars on GitHub - 1 maintainer
Top 5.8% on pypi.org
4 versions - Latest release: over 1 year ago - 1 dependent package - 7 dependent repositories - 2.78 thousand downloads last month - 540 stars on GitHub - 1 maintainer
nequip 0.5.6
NequIP is an open-source code for building E(3)-equivariant interatomic potentials.4 versions - Latest release: over 1 year ago - 1 dependent package - 7 dependent repositories - 2.78 thousand downloads last month - 540 stars on GitHub - 1 maintainer
aiondata 0.4.5
A common data access layer for AI-driven drug discovery.18 versions - Latest release: 24 days ago - 730 downloads last month - 0 stars on GitHub - 1 maintainer
ontoloviz 1.7.4
OntoloViz drug- and phenotype-ontology visualization GUI18 versions - Latest release: 7 months ago - 44 downloads last month - 3 stars on GitHub - 1 maintainer
qsprpred 3.0.2
A cheminformatics package for training and testing QSAR/QSPR models1 version - Latest release: 2 months ago - 45 downloads last month - 32 stars on GitHub - 1 maintainer
cluster-drug-discovery 1.0.0.0
Cluster techniques for drug discovery1 version - Latest release: over 4 years ago - 17 downloads last month - 1 stars on GitHub - 1 maintainer
Top 4.1% on pypi.org
14 versions - Latest release: about 2 months ago - 1 dependent package - 6 dependent repositories - 43.7 thousand downloads last month - 75 stars on GitHub - 1 maintainer
spyrmsd 0.7.0
Python RMSD tool with symmetry correction.14 versions - Latest release: about 2 months ago - 1 dependent package - 6 dependent repositories - 43.7 thousand downloads last month - 75 stars on GitHub - 1 maintainer
toxinpred2 1.1
A tool to predict toxic and non-toxic proteins2 versions - Latest release: 10 months ago - 45 downloads last month - 9 stars on GitHub - 2 maintainers
rai-chem 0.0.4
2 versions - Latest release: 6 months ago - 29 downloads last month - 1 stars on GitHub - 1 maintainerdeepmol 1.1.2
DeepMol: a python-based machine and deep learning framework for drug discovery19 versions - Latest release: 3 months ago - 223 downloads last month - 83 stars on GitHub - 2 maintainers
de-workflow 0.2.2
A ToolBox for fuzzily extracting drugs mentions from text.12 versions - Latest release: almost 2 years ago - 1 dependent repositories - 63 downloads last month - 3 stars on GitHub - 1 maintainer
chemicalx 0.1.0
A Deep Learning Library for Drug Pair Scoring.10 versions - Latest release: over 2 years ago - 1 dependent repositories - 138 downloads last month - 700 stars on GitHub - 3 maintainers
extract-drugs 1.3.0
A CLI for extracting drugs from text records6 versions - Latest release: about 1 month ago - 138 downloads last month - 3 stars on GitHub - 1 maintainer
Top 3.7% on pypi.org
18 versions - Latest release: about 1 month ago - 2 dependent packages - 7 dependent repositories - 18 thousand downloads last month - 1,520 stars on GitHub - 3 maintainers
chemprop 2.0.0
Molecular Property Prediction with Message Passing Neural Networks18 versions - Latest release: about 1 month ago - 2 dependent packages - 7 dependent repositories - 18 thousand downloads last month - 1,520 stars on GitHub - 3 maintainers
summit 0.8.9
Tools for optimizing chemical processes14 versions - Latest release: over 1 year ago - 3 dependent repositories - 284 downloads last month - 112 stars on GitHub - 2 maintainers
pytrial 0.0.6
PyTrial: A Python Package for Artificial Intelligence in Drug Development6 versions - Latest release: 12 months ago - 124 downloads last month - 68 stars on GitHub - 1 maintainer
insilico 0.1.2
A Python package to process & model ChEMBL data.2 versions - Latest release: over 2 years ago - 1 dependent repositories - 15 downloads last month - 0 stars on GitHub - 1 maintainer
Top 3.3% on pypi.org
47 versions - Latest release: 18 days ago - 5 dependent packages - 12 dependent repositories - 18.6 thousand downloads last month - 930 stars on GitHub - 3 maintainers
pytdc 0.4.14
Therapeutics Data Commons47 versions - Latest release: 18 days ago - 5 dependent packages - 12 dependent repositories - 18.6 thousand downloads last month - 930 stars on GitHub - 3 maintainers
miscellaneous 1.0.0
Retrieve analogs given a query molecule and a database.1 version - Latest release: about 5 years ago - 1 dependent repositories - 38 downloads last month - 3 stars on GitHub - 1 maintainer
registry-factory 0.1.2
Abstract codebase with utilities to register generic modules.3 versions - Latest release: about 1 year ago - 1 dependent repositories - 39 downloads last month - 8 stars on GitHub - 2 maintainers
analogs-finder 1.2.1
Retrieve analogs given a query molecule and a database.4 versions - Latest release: over 4 years ago - 39 downloads last month - 3 stars on GitHub - 1 maintainer
flashflood 0.13.0
HTTP API server builder for chemical database workflow9 versions - Latest release: almost 6 years ago - 1 dependent repositories - 87 downloads last month - 2 stars on GitHub - 1 maintainer
chorus 0.9.0
Simple chemical structure modeling toolkit6 versions - Latest release: almost 6 years ago - 2 dependent repositories - 80 downloads last month - 5 stars on GitHub - 1 maintainer
pele-platform-test 1.4.0
Automatic platform to launch PELE1 version - Latest release: about 4 years ago - 1 dependent repositories - 12 downloads last month - 9 stars on GitHub - 1 maintainer
pele-platform 1.6.4
Automatic platform to launch PELE simulations34 versions - Latest release: almost 2 years ago - 1 dependent repositories - 123 downloads last month - 9 stars on GitHub - 1 maintainer
deepchem-nightly 2.3.0
Deep learning models for drug discovery, quantum chemistry, and the life sciences.33 versions - Latest release: almost 4 years ago - 1 dependent repositories - 114 downloads last month - 5,171 stars on GitHub - 1 maintainer
gninatorch 0.0.2
PyTorch implementation of GNINA scoring function2 versions - Latest release: almost 2 years ago - 1 dependent repositories - 36 downloads last month - 556 stars on GitHub - 1 maintainer
fragment-elaboration-scripts 0.1.1
A collection of notebooks and scripts for the prediction of follow-up compounds in2 versions - Latest release: 5 months ago - 10 downloads last month - 9 stars on GitHub - 1 maintainer
pyplif-hippos 0.1.0
HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of ...1 version - Latest release: almost 4 years ago - 1 dependent repositories - 20 downloads last month - 26 stars on GitHub - 1 maintainer
drug2ways 0.0.12
Reasoning over polar paths in biological networks for drug discovery applications12 versions - Latest release: almost 2 years ago - 2 dependent repositories - 69 downloads last month - 26 stars on GitHub - 1 maintainer
fragmenstein 1.0.5
Merging, linking and placing compounds by stitching them together like a reanimated corpse84 versions - Latest release: 17 days ago - 1 dependent package - 1 dependent repositories - 441 downloads last month - 160 stars on GitHub - 1 maintainer
Top 2.9% on pypi.org
17 versions - Latest release: over 1 year ago - 8 dependent packages - 29 dependent repositories - 18.4 thousand downloads last month - 685 stars on GitHub - 1 maintainer
dgllife 0.3.2
DGL-based package for Life Science17 versions - Latest release: over 1 year ago - 8 dependent packages - 29 dependent repositories - 18.4 thousand downloads last month - 685 stars on GitHub - 1 maintainer
Top 7.0% on pypi.org
13 versions - Latest release: over 2 years ago - 2 dependent repositories - 3.51 thousand downloads last month - 918 stars on GitHub - 1 maintainer
deeppurpose 0.1.5
a Deep Learning Based Toolkit for Drug Discovery13 versions - Latest release: over 2 years ago - 2 dependent repositories - 3.51 thousand downloads last month - 918 stars on GitHub - 1 maintainer
Top 4.2% on pypi.org
83 versions - Latest release: 4 months ago - 16 dependent packages - 3 dependent repositories - 14.8 thousand downloads last month - 400 stars on GitHub - 3 maintainers
datamol 0.12.4
A python library to work with molecules. Built on top of RDKit.83 versions - Latest release: 4 months ago - 16 dependent packages - 3 dependent repositories - 14.8 thousand downloads last month - 400 stars on GitHub - 3 maintainers
Top 2.1% on pypi.org
20 versions - Latest release: about 2 years ago - 14 dependent packages - 51 dependent repositories - 65.5 thousand downloads last month - 683 stars on GitHub - 1 maintainer
biopandas 0.4.1
Machine Learning Library Extensions20 versions - Latest release: about 2 years ago - 14 dependent packages - 51 dependent repositories - 65.5 thousand downloads last month - 683 stars on GitHub - 1 maintainer
cando-py 2.3.2
CANDO is a unique computational drug discovery, design, and repurposing platform.3 versions - Latest release: almost 2 years ago - 44 downloads last month - 33 stars on GitHub - 1 maintainer
Top 5.7% on pypi.org
30 versions - Latest release: 4 months ago - 1 dependent package - 3 dependent repositories - 1.21 thousand downloads last month - 927 stars on GitHub - 1 maintainer
graphein 1.7.6 💰
Protein & Interactomic Graph Construction for Machine Learning30 versions - Latest release: 4 months ago - 1 dependent package - 3 dependent repositories - 1.21 thousand downloads last month - 927 stars on GitHub - 1 maintainer
exper 0.2.0
This is a python package for running deep learning experiments. Users can rapidly run their exper...5 versions - Latest release: 28 days ago - 43 downloads last month - 1,378 stars on GitHub - 1 maintainer
autotarget 1.0.0.3
A Disease-Associated Drug Target Recommendation System using Node Classification with Neighborhoo...4 versions - Latest release: over 1 year ago - 38 downloads last month - 5 stars on GitHub - 1 maintainer
protenc 0.1.6
Extract protein embeddings from protein language models.7 versions - Latest release: 8 months ago - 66 downloads last month - 4 stars on GitHub - 1 maintainer
txgnn 0.0.3
TxGNN3 versions - Latest release: over 1 year ago - 32 downloads last month - 51 stars on GitHub - 1 maintainer
drug-named-entity-recognition 1.0.3
Drug Named Entity Recognition library to find and resolve drug names in a string (drug named enti...5 versions - Latest release: about 2 months ago - 11.6 thousand downloads last month - 14 stars on GitHub - 1 maintainer
pemt 0.0.2
A tool for extractor patent literature in drug discovery4 versions - Latest release: almost 2 years ago - 22 downloads last month - 12 stars on GitHub - 1 maintainer
aidd-codebase 0.2.0
High-level codebase for deep learning development in drug discovery.13 versions - Latest release: over 1 year ago - 156 downloads last month - 5 stars on GitHub - 2 maintainers
Top 4.7% on pypi.org
10 versions - Latest release: 11 months ago - 1 dependent package - 19 dependent repositories - 1.84 thousand downloads last month - 6 stars on GitHub - 1 maintainer
torchdrug 0.2.1
A powerful and flexible machine learning platform for drug discovery10 versions - Latest release: 11 months ago - 1 dependent package - 19 dependent repositories - 1.84 thousand downloads last month - 6 stars on GitHub - 1 maintainer
scopy 1.2.5
A filter tool for HTS and VS2 versions - Latest release: about 3 years ago - 5 dependent repositories - 154 downloads last month - 41 stars on GitHub - 1 maintainer
molkitten 0.0.7
A molecule reading/writing and manipulation package.2 versions - Latest release: almost 2 years ago - 1 dependent repositories - 6 downloads last month - 192 stars on GitHub - 2 maintainers
Top 5.7% on pypi.org
196 versions - Latest release: 23 days ago - 1 dependent package - 11 dependent repositories - 970 downloads last month - 192 stars on GitHub - 2 maintainers
moleculekit 1.8.32
A molecule reading/writing and manipulation package.196 versions - Latest release: 23 days ago - 1 dependent package - 11 dependent repositories - 970 downloads last month - 192 stars on GitHub - 2 maintainers
kiwiii-server 0.7.0
HTTP API server library for chemical database administration and computation1 version - Latest release: almost 7 years ago - 1 dependent repositories - 19 downloads last month - 0 stars on GitHub - 1 maintainer
Top 9.7% on pypi.org
30 versions - Latest release: 26 days ago - 1 dependent repositories - 258 downloads last month - 186 stars on GitHub - 1 maintainer
ersilia 0.1.33 💰
A hub of AI/ML models for open source drug discovery and global health30 versions - Latest release: 26 days ago - 1 dependent repositories - 258 downloads last month - 186 stars on GitHub - 1 maintainer
enrich-omics 0.2.1
Package to perform enrichment analysis in python using EnrichR and OpenTargets APIs21 versions - Latest release: over 2 years ago - 1 dependent repositories - 121 downloads last month - 16 stars on GitHub - 1 maintainer
chemml 0.7.1
A Machine Learning and Informatics Program Suite for the Chemical and Materials Sciences17 versions - Latest release: about 3 years ago - 1 dependent repositories - 195 downloads last month - 151 stars on GitHub - 2 maintainers
bbb-calculator 1.0
Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-98361 version - Latest release: about 4 years ago - 14 downloads last month - 11 stars on GitHub - 1 maintainer
acellera-htmd 1.23.6
High throughput molecular dynamics (HTMD)4 versions - Latest release: over 3 years ago - 56 downloads last month - 249 stars on GitHub - 2 maintainers
molmap 1.3.7
MolMap: An Efficient Convolutional Neural Network Based Molecular Deep Learning Tool11 versions - Latest release: over 1 year ago - 60 downloads last month - 134 stars on GitHub - 1 maintainer
Related Keywords
deep-learning
17
machine-learning
16
cheminformatics
13
bioinformatics
10
chemistry
7
pytorch
6
drug-design
6
python
6
molecule
5
molecular-modeling
4
geometric-deep-learning
4
graph-neural-networks
4
pharma
4
machine learning
4
biology
4
drug
4
artificial-intelligence
3
Drug Discovery
3
computational-chemistry
3
drug-repurposing
3
drug discovery
3
computational-biology
3
quantum-chemistry
3
life-science
3
materials-science
3
proteins
2
protein-structure
2
molecular-simulation
2
text-processing
2
rust-lang
2
fuzzy-search
2
api-server
2
molecular-docking
2
Bioinformatics
2
substructure
2
similaritysearch
2
query-engine
2
finder
2
database
2
analog
2
therapeutics
2
nlp
2
precision-medicine
2
neural-networks
2
drugs
2
natural-language-processing
2
deep learning
2
dgl
2
virtual-screening
2
medicinal-chemistry
2
msm
2
hacktoberfest
2
montecarlo-simulation
2
deepchem
2
qsar
2
modeling
2
adaptive
2
docking
2
molecules
2
rdkit
2
drug-target-interaction
1
modeling and simulation
1
biomedical-informatics
1
multitarget
1
open-source
1
drug-property-prediction
1
shotgun
1
gene-regulatory-networks
1
drug-drug-interaction
1
interactome
1
protein-design
1
protein-data-bank
1
interactomics
1
ppi-networks
1
protein
1
mol2
1
molecular-structures
1
pandas-dataframe
1
pdb
1
pdb-files
1
drug design
1
translational bioinformatics
1
drug repurposing
1
toolkit
1
computational biology
1
side-effects
1
biomedical informatics
1
repurposing-drugs
1
protein-protein-interaction
1
protein-function-prediction
1
ppi
1
dti-prediction
1
drug-target-interactions
1
enrichment
1
enrichment-analysis
1
enrichr
1
genomics
1
omics
1
omics-data
1
opentargets
1