Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "molecular-docking" keyword
polypharm 0.4.3
A Python-based library to perform IFD and MMGBSA calculations on different targets using a polyph...10 versions - Latest release: about 1 month ago - 47 downloads last month - 2 stars on GitHub - 1 maintainer
Top 4.1% on pypi.org
14 versions - Latest release: 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: 2 months ago - 1 dependent package - 6 dependent repositories - 43.7 thousand downloads last month - 75 stars on GitHub - 1 maintainer
dockbox 1.3
Platform package to simplify the use of docking programs and consensus methods3 versions - Latest release: over 4 years ago - 1 dependent repositories - 29 downloads last month - 14 stars on GitHub - 2 maintainers
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
docktgrid 0.0.2
Create customized voxel representations of protein-ligand complexes using GPU.2 versions - Latest release: 3 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
Related Keywords
virtual-screening
3
computational-chemistry
2
computational-biology
2
drug-discovery
2
ray
1
distributed-computing
1
scoring-functions
1
binding-affinity
1
deep-learning
1
voxel-grid
1
interaction-fingerprinting
1
autodock-vina
1
wrapper-library
1
scoring-algorithm
1
consensus-algorithm
1
symmetry
1
rmsd
1
docking
1
computer-aided-drug-design
1
cadd
1
free-energy-calculations
1
induced-fit
1
polypharmacology
1