Hadrien Mary's repositories
pytrackmate
Import Trackmate XML files in Python as Pandas dataframe
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
conda-smithy
The tool for managing conda-forge feedstocks.
datamol-feedstock
A conda-smithy repository for datamol.
dftd3-python-feedstock
A conda-smithy repository for dftd3-python.
docker-compose-feedstock
A conda-smithy repository for docker-compose.
GKlib
A library of various helper routines and frameworks used by many of the lab's software
gpustat-feedstock
A conda-smithy repository for gpustat.
graphium-feedstock
A conda-smithy repository for graphium.
jinxed-feedstock
A conda-smithy repository for jinxed.
katago-feedstock
A conda-smithy repository for katago.
Lilly-Medchem-Rules
Implementation of Lilly Medchem Rules - J Med Chem 2012
lilly-medchem-rules-feedstock
A conda-smithy repository for lilly-medchem-rules.
maven-feedstock
A conda-smithy repository for maven.
molfeat-feedstock
A conda-smithy repository for molfeat.
openff-toolkit-feedstock
A conda-smithy repository for openff-toolkit.
openmm-plumed-feedstock
A conda-smithy repository for openmm-plumed.
prolif-feedstock
A conda-smithy repository for prolif.
pyg-lib-feedstock
A conda-smithy repository for pyg-lib.
QCFractal
A distributed compute and database platform for quantum chemistry.
rattler-build
rattler-build is a universal package builder for Windows, macOS and Linux
rdkit-feedstock
A conda-smithy repository for rdkit.
rocksdb-feedstock
A conda-smithy repository for rocksdb.
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
vina-feedstock
A conda-smithy repository for vina.