Lead developer of REINVENT4
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AstraZeneca
- Gothenburg, Sweden
- https://www.linkedin.com/in/hannesloeffler/
Stars
Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparisons of molecules represented by binary fingerprints or real …
Effective Python: Third Edition — Source Code and Errata for the Book
Biomolecular simulation trajectory/data analysis.
Parameter/topology editor and molecular simulator
drroe / pytraj
Forked from Amber-MD/pytrajPython API for cpptraj: a data analysis package for biomolecular simulation
drroe / cpptraj
Forked from Amber-MD/cpptrajBiomolecular simulation trajectory/data analysis.
An open tool implementing some recommended practices for analyzing alchemical free energy calculations