25 projects
mond
Monte Carlo Simulation to dissolve a molecule in a mixture of other molecules
carate
Chemical and Pharmaceutical Autoencoder - Providing reproducible modelling for quantum chemistry
amarium
Filesystem handling utilities
applique
Chemical drawing with Python
black-pdbfixer
Fork of pdbfixer (https://github.com/openmm/pdbfixer) to be able to pip install it.
inked-surface
Package to create random structures
sailing-log
Simple logger class for usage in data streams related to deep learning, reinforcement learning, and high performance computing
kokushibyo
Filesystem handling utilities
corevolution
Filesystem handling utilities
particular
Extremely accurate N-Body simulator for basic physical research. The dependencies are kept at a bare minimum.
aiarc
Chemical and Pharmaceutical Autoencoder - Providing reproducible modelling for quantum chemistry
spawn-lia
The most wanted support
hydrazine
Filesystem handling utilities
torch-sparse-carate
PyTorch Extension Library of Optimized Autograd Sparse Matrix Operations
torch-scatter-carate
PyTorch Extension Library of Optimized Scatter Operations adapted for compatibility
prettify-py
CLI for prettifying Python
lia-cli
The most wanted support
weather-collector
CLI for collecting weather data
bulkhead
package providing objects for API interaction
spider-web
CLI for catching bugs on a computer system
prettify-xml
CLI for prettifying XML
dylightful
Package to uncover hidden interaction patterns in supramolecular complexes
chembee
Biolerplate for Python packaging
radiant-rdkit
short package to make publication quality rdkit plots
acheeve
Package coodinating multiple chembees
