ldamore's Stars
Phlya/adjustText
A small library for automatically adjustment of text position in matplotlib plots to minimize overlaps.
PatWalters/practical_cheminformatics_tutorials
Practical Cheminformatics Tutorials
ccsb-scripps/AutoDock-Vina
AutoDock Vina
easybuilders/easybuild-easyconfigs
A collection of easyconfig files that describe which software to build using which build options with EasyBuild.
openforcefield/openff-forcefields
Force fields produced by the Open Force Field Initiative
GaetanoCarlucci/CPULoadGenerator
CPU Load Generator allows you to generate a fixed configurable CPU load for a finite time by means of PID regulator.
bgruening/galaxytools
:microscope::books: Galaxy Tool wrappers
ML4chemArg/Intro-to-Machine-Learning-in-Chemistry
PatWalters/chem_tutorial
smparker/molecular-blender
blend molecules!
BERTHA-4c-DKS/pycubescd