Samuel Murail's repositories
docking_py
Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.
gromacs_py
Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a pdb file, create the simulation system (box, add water and ions) and run minimisation, equilibration and production run.
af2_analysis
Analysis of alphafold and colabfold results
pdb_manip_py
Pdb_Manip_py is a python library allowing simple operations on pdb coor files.
os_command_py
Os_Command_py is a python library allowing a simplified use of the OS commands.
alphafold
Open source code for AlphaFold.
AlphaLink
AlphaLink: Integrating crosslinking-MS data into OpenFold
apbs-pdb2pqr
APBS and PDB2PQR software
bioconda-recipes
Conda recipes for the bioconda channel.
ColabFold
Making Protein folding accessible to all!
enlarge_msa
Enlarge the MSA to improve Alphafold/Colabfold performance.
openmm-tutorial-msbs
OpenMM tutorial for the MSBS course
os_command_py-feedstock
A conda-smithy repository for os_command_py.
PersonalPage
My personnal page
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks