FabioFalcioni
PhD Student @popelier-group | The University of Manchester
University of ManchesterManchester
FabioFalcioni's Stars
JuDFTteam/best-of-atomistic-machine-learning
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
popelier-group/ichor
Computational Chemistry Data Management Library for Machine Learning Force Field Development
openmm/spice-dataset
A collection of QM data for training potential functions
astral-sh/ruff
An extremely fast Python linter and code formatter, written in Rust.
ashleve/lightning-hydra-template
PyTorch Lightning + Hydra. A very user-friendly template for ML experimentation. ⚡🔥⚡
n2cholas/awesome-jax
JAX - A curated list of resources https://github.com/google/jax
SAITPublic/MLFF-Framework
This repository is a package to provide SAIT Machine Learning Force Field(MLFF) Framework
mir-group/nequip
NequIP is a code for building E(3)-equivariant interatomic potentials
ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
microsoft/AI2BMD
AI-powered ab initio biomolecular dynamics simulation
CCPBioSim/CodeEntropy
CodeEntropy-POSEIDON for entropy calculation
cisert/rescoss_logp_ml
Mesoptier/trajectory-clustering
schrodinger/pymol-open-source
Open-source foundation of the user-sponsored PyMOL molecular visualization system.