Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "virtual-screening" keyword
dnptools 0.0.4
Python utilities for working with DENOPTIM (https://github.com/denoptim-project/DENOPTIM)4 versions - Latest release: about 1 year ago - 42 downloads last month - 31 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
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
docktgrid 0.0.2
Create customized voxel representations of protein-ligand complexes using GPU.2 versions - Latest release: 2 months ago - 19 downloads last month - 7 stars on GitHub - 1 maintainer
pyscreener 1.2.3
pythonic interface to virtual screening software7 versions - Latest release: over 1 year ago - 3 dependent repositories - 195 downloads last month - 75 stars on GitHub - 1 maintainer
smiles-featurizers 1.0.8
A python library for extracting molecular SMILES embeddings from language models pre-trained with...9 versions - Latest release: over 1 year ago - 114 downloads last month - 14 stars on GitHub - 1 maintainer
Related Keywords
molecular-docking
3
drug-discovery
2
deep-learning
2
side-effects
1
toolkit
1
voxel-grid
1
binding-affinity
1
scoring-functions
1
computational-biology
1
distributed-computing
1
ray
1
bart
1
bart-decoder
1
bart-encoder
1
bert
1
dense-vectors
1
embeddings
1
fingerprints
1
moleculenet
1
pytorch
1
sentence-embeddings
1
sentence-transformers
1
simcse
1
smiles
1
virtual-screening-studies
1
combinatorial
1
computational-chemistry
1
de-novo-design
1
genetic-algorithm
1
molecular-design
1
molecular-modeling
1
autodock-vina
1
interaction-fingerprinting
1
bioinformatics
1
covid19
1
ddi
1
drug-drug-interaction
1
drug-property-prediction
1
drug-repurposing
1
drug-target-interaction
1
drug-target-interactions
1
dti-prediction
1
ppi
1
protein-function-prediction
1
protein-protein-interaction
1
qsar
1
repurposing-drugs
1