pypi.org "biomolecules" keyword
pensa 0.6.0
exploratory analysis and comparison of biomolecular conformational ensembles.16 versions - Latest release: almost 2 years ago - 1 dependent repositories - 32 downloads last month - 152 stars on GitHub - 1 maintainer
geometric-vector-perceptron 0.0.14
Geometric Vector Perceptron - Pytorch11 versions - Latest release: over 5 years ago - 1 dependent repositories - 41 downloads last month - 77 stars on GitHub - 1 maintainer
pykvfinder 0.9.3
Python package to detect and characterize cavities in biomolecular structures46 versions - Latest release: 4 months ago - 1 dependent package - 1 dependent repositories - 7.14 thousand downloads last month - 40 stars on GitHub - 1 maintainer
mdinteract 0.2
A Pandas interface to the analysis of biomolecular structures with MD trajectory support2 versions - Latest release: about 7 years ago - 1 dependent repositories - 52 downloads last month - 6 stars on GitHub - 1 maintainer
pycontact 1.0.4
PyContact2 versions - Latest release: about 6 years ago - 1 dependent repositories - 24 downloads last month - 72 stars on GitHub - 1 maintainer
distruct 1.0.3
a package to generate 3d molecular structures from distance constraints15 versions - Latest release: over 6 years ago - 1 dependent repositories - 24 downloads last month - 2 stars on GitHub - 1 maintainer
ramanbiolib 1.0.0
Biomolecules identification search using Raman spectra.6 versions - Latest release: over 1 year ago - 28 downloads last month - 23 stars on GitHub - 1 maintainer
mdpilot 0.0.1
MDPilot — Molecular Dynamics Processing Informatics Library Operations & Tools1 version - Latest release: about 1 year ago - 19 downloads last month - 1 maintainer
mdsb 0.0.1
MDSB — Molecular Dynamics Simulations of Biomolecules (placeholder pre-release).1 version - Latest release: about 1 year ago - 19 downloads last month - 1 maintainer
ramanbiolib-ui 1.0.0rc5
UI for ramanbiolib. Biomolecules identification search using Raman spectra.5 versions - Latest release: over 1 year ago - 147 downloads last month - 4 stars on GitHub - 1 maintainer
martini-templates 0.1.0
Create Martini force field templates for GROMACS1 version - Latest release: over 1 year ago - 16 downloads last month - 1 maintainer
Related Keywords
molecular-dynamics
4
simulation
4
interactions
3
computational-chemistry
2
drug-discovery
2
md
2
trajectory-analysis
2
raman
2
spectroscopy
2
proteins
2
biophysics
2
artificial intelligence
1
toolkit
1
qt5
1
python
1
molecular-structures
1
dynamics
1
computational-biology
1
chemistry
1
biochemistry
1
analysis
1
deep learning
1
equivariance
1
artficial-intelligence
1
biomolecule
1
deep-learning
1
protein-structure
1
force field
1
gromacs
1
martini
1
template
1
structural biology
1
cavity detection
1
cavity characterization
1
binding sites
1
cavity-characterization
1
cavity-detection
1
numpy-arrays
1
python-package
1
scripting
1
graph drawing
1
structural-biology
1
MDStudio
1
trajectories
1
pandas
1
computational
1
biology
1
bioinformatics
1
visualization
1
protein
1
dna
1