ecrl / padelpy Star 221 Code Issues Pull requests A Python wrapper for PaDEL-Descriptor software python computational-chemistry padel molecular-fingerprints command-line-wrapper molecular-descriptors Updated Apr 28, 2025 Python
ecrl / alvadescpy Star 10 Code Issues Pull requests A Python wrapper for alvaDesc software computational-chemistry molecular-fingerprints command-line-wrapper molecular-descriptors Updated Oct 15, 2024 Python