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🎩 Appear offline for League of Legends, VALORANT, and Legends of Runeterra.
The Apache Guacamole web application, official extensions, and JavaScript library.
CLI application to create ssh tunnels focused on resiliency and user experience.
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Biological foundation modeling from molecular to genome scale
Libraries to help developers express architectural abstractions in Java code
Open-source C++ game engine with Lua for 2D and 3D games across mobile, desktop, WebAssembly, and Xbox (UWP).
A curated list of Python packages related to chemistry
Official Repository for the Uni-Mol Series Methods
WebGL accelerated JavaScript molecular graphics library
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.
Python package for graph neural networks in chemistry and biology
An open library for the analysis of molecular dynamics trajectories
A Go package for engineering organisms.
:tomato: A pomodoro app for your menubar/tray.
Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)
Molecular Processing Made Easy.
a molecular descriptor calculator
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
The repository host gives no description.
Universal cheminformatics toolkit, utilities and database search tools
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
Deep Reinforcement Learning for de-novo Drug Design