gncs
Interested in Reinforcement Learning, Graph Neural Networks, and Quantum Chemistry.
Cambridge, UK
gncs's Stars
torvalds/linux
Linux kernel source tree
alacritty/alacritty
A cross-platform, OpenGL terminal emulator.
Lightning-AI/pytorch-lightning
Pretrain, finetune ANY AI model of ANY size on multiple GPUs, TPUs with zero code changes.
matplotlib/matplotlib
matplotlib: plotting with Python
toml-lang/toml
Tom's Obvious, Minimal Language
ranger/ranger
A VIM-inspired filemanager for the console
mathjax/MathJax
Beautiful and accessible math in all browsers
pypa/pip
The Python package installer
PyCQA/isort
A Python utility / library to sort imports.
streetcomplete/StreetComplete
Easy to use OpenStreetMap editor for Android
pytorch/rl
A modular, primitive-first, python-first PyTorch library for Reinforcement Learning.
BeanieODM/beanie
Asynchronous Python ODM for MongoDB
mathjax/MathJax-src
MathJax source code for version 3 and beyond
duerrsimon/bioicons
A library of free open source icons for science illustrations in biology and chemistry
tropy/tropy
Research photo management
Jonathan-LeRoux/IguanaTex
A PowerPoint add-in to insert LaTeX equations into PowerPoint presentations on Windows and Mac
3dmol/3Dmol.js
WebGL accelerated JavaScript molecular graphics library
NeoVintageous/NeoVintageous
Vim for Sublime Text.
gpxstudio/gpxstudio.github.io
The online GPX file editor
ACEsuit/mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
aiidateam/aiida-core
The official repository for the AiiDA code
alexpevzner/sane-airscan
Scanner Access Now Easy - universal driver for eSCL (Apple AirScan) and WSD
pdearena/pdearena
dockstring/dockstring
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
fevangelista/wicked
A Wick theorem kernel written in C++ and interfaced with Python
JethroHemmann/QuickLookProtein
QuickLookProtein is a macOS Quick Look extension to preview protein/3D structure files (PDB, SDF, CIF).
Linux-cpp-lisp/opt_einsum_fx
Einsum optimization using opt_einsum and PyTorch FX graph rewriting
davkovacs/BOTNet-datasets
This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.
AustinT/ai4sci-2021-denovo-benchmarks
Code for workshop paper "A Fresh Look at De Novo Molecular Design Benchmarks" at the NeurIPS AI for Science NeurIPS 2021 Workshop
lollcat/FAB-2021