Machine Learning model for molecular micro-pKa prediction

Learning Protein-Ligand Properties with Atomic Environment Vectors

A shared space to access information related to Multiple Topology Replica Exchange of Expanded Ensemble

MM fitting code for the paper "Systematic improvement of empirical energy functions in the era of machine learning" https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.27367

Guides, Tricks, and Tips to get the Legion Go running best on Linux

DiffDock implementation that adds support for HPC execution using Slurm and Singularity

Get the forecast from the norwegian weather service yr.no in python

A V2Ray client for Android, support Xray core and v2fly core

A Python API for the RCSB Protein Data Bank (PDB)