Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "molecule" keyword
trident-chemwidgets 0.2.1
Jupyter Widgets to interact with molecular datasets.2 versions - Latest release: almost 2 years ago - 20 stars on GitHub
biopandas 0.4.1 💰
BioPandas is a library for working with Protein Databank Files(PDB) written in Python 2.7 and Pyt...11 versions - Latest release: about 2 years ago - 3 dependent packages - 17 dependent repositories - 621 stars on GitHub
dgllife 0.3.0
Python package for graph neural networks in chemistry and biology3 versions - Latest release: almost 2 years ago - 7 dependent repositories - 551 stars on GitHub
molecule-inspec 1.1
Molecule Inspec Verifier Plugin1 version - Latest release: over 3 years ago - 13 stars on GitHub
datamol 0.8.4
Molecular Processing Made Easy.55 versions - Latest release: over 1 year ago - 349 stars on GitHub
panel-chemistry 0.2.2
🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA AN...5 versions - Latest release: over 1 year ago - 98 stars on GitHub
thermo 0.2.21
thermo is an open-source software for engineers, scientists, technicians and anyone trying to und...14 versions - Latest release: about 2 years ago - 1 dependent package - 3 dependent repositories - 452 stars on GitHub
rmsd 1.3.2
Calculate root-mean-square deviation (RMSD) between two sets of cartesian coordinates (XYZ or PDB...2 versions - Latest release: about 4 years ago - 1 dependent package - 4 dependent repositories - 370 stars on GitHub
Related Keywords
cheminformatics
3
drug-discovery
3
chemistry
3
bioinformatics
2
python
2
molecules
2
pdb
2
chemical-engineering
1
combustion
1
density
1
environmental-engineering
1
equation-of-state
1
heat-capacity
1
mechanical-engineering
1
physics
1
process-simulation
1
solubility
1
surface-tension
1
thermal-conductivity
1
thermodynamics
1
vapor-pressure
1
viscosity
1
alignment
1
assignment
1
atoms
1
xyz
1
kabsch
1
reordering
1
rmsd
1
structure
1
jupyter
1
jupyter-notebook
1
notebook
1
visualization
1
computational-biology
1
mol2
1
molecular-structures
1
pandas-dataframe
1
pdb-files
1
protein-structure
1
deep-learning
1
dgl
1
geometric-deep-learning
1
graph-neural-networks
1
ansible
1
molecule-plugin
1
drug-design
1
medicinal-chemistry
1
rdkit
1
data-science
1
dataexploration
1
datavisualization
1
panel
1