Acellera's repositories
moleculekit
MoleculeKit: Your favorite molecule manipulation kit
acegen-open
Language models for drug discovery using torchrl
ffevaluation
Forcefield evaluation in python using numba
func2argparse
Converts python functions to argparse objects
conda-match
MATCH -- charmm typing tool
conda-propka
conda recipe for propka
conda-psfgen
conda recipe for psfgen
sellers
Hosting for Seller's dataset
SSTMap
Solvation Structure and Thermodynamic Mapping
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
apbs-pdb2pqr
A fork of https://github.com/Electrostatics/apbs-pdb2pqr
docker-recipes
repository for Acellera Docker recipes
moleculekit-1
MoleculeKit: Your favorite molecule manipulation kit
molstar
A comprehensive macromolecular library
openmm-plumed
OpenMM plugin to interface with PLUMED
rdkit-feedstock
A conda-smithy repository for rdkit.
rDock
Fork of rDock to build for Ubuntu conda release