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Python 31 14 Updated Dec 12, 2024

Robust Equilibration Detection

Python 22 1 Updated Apr 25, 2025

Hyprland is an independent, highly customizable, dynamic tiling Wayland compositor that doesn't sacrifice on its looks.

C++ 25,349 1,079 Updated May 14, 2025

Ian Kenney's neovim configuration

Lua 1 Updated Sep 6, 2024

🎨 Light & Dark Vim color schemes inspired by Google's Material Design

8000
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A simple, retro theme for Hugo

CSS 2,309 819 Updated May 10, 2025

🔯 Modern, batteries-included Hugo theme for creating beautiful doc, blog and static websites

HTML 1,258 263 Updated Apr 13, 2025

Simple blogging with static Markdown files

PHP 2 1 Updated Nov 1, 2012

OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method

Python 133 32 Updated Mar 31, 2025

Deep learning for molecules and materials book

Jupyter Notebook 647 123 Updated Jul 2, 2023

NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model

Jupyter Notebook 290 71 Updated Apr 21, 2024
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Molecular bloom filter tool

Python 117 14 Updated Apr 25, 2025

Molecular filtering for drug discovery.

Python 56 8 Updated Jan 2, 2025

experimental toybox

Python 3 1 Updated Apr 18, 2024

Graphs for Everyone

Java 14,302 2,437 Updated May 12, 2025

Algorithms for various Network Layouts and Tooling for planning FE Calculations

Jupyter Notebook 17 4 Updated May 13, 2025

Learn how to design systems at scale and prepare for system design interviews

35,816 4,192 Updated Apr 10, 2024

Reinforcement learning environments for drug discovery

Jupyter Notebook 18 2 Updated Aug 23, 2024

Differentiable Markov Chain Monte Carlo

Python 14 1 Updated Mar 23, 2024

A GlobalProtect VPN client for Linux, written in Rust, based on OpenConnect and Tauri, supports SSO with MFA, Yubikey, and client certificate authentication, etc.

Rust 1,614 171 Updated May 5, 2025

A comprehensive toolkit for predicting free energies

Python 53 9 Updated Jan 10, 2025

Foster the development of impactful AI models in drug discovery.

Python 124 9 Updated May 13, 2025

Literally Interpreting esPalOMA parameters

Python 4 2 Updated Feb 5, 2024

Optimize classical force field parameters against reference data

Python 8 4 Updated Oct 20, 2024

Useful resources on distributed system design.

563 70 Updated Apr 25, 2025

A library that provides an embeddable, persistent key-value store for fast storage.

C++ 29,680 6,476 Updated May 13, 2025

LevelDB is a fast key-value storage library written at Google that provides an ordered mapping from string keys to string values.

C++ 37,594 8,003 Updated Jan 30, 2025

The Node.js Technical Steering Committee

JavaScript 626 138 Updated May 13, 2025

Materials for 2023 workshop at CCPBioSim Training Week https://www.ccpbiosim.ac.uk/events/upcoming-events/eventdetail/104/-/training-week

Jupyter Notebook 30 Updated Sep 27, 2023
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