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MDAnalysis is a Python library to analyze molecular dynamics simulations.
A CDK-based library for generating Scaffold Trees and Scaffold Networks
A Java wrapper of the Triangle mesh generator and delaunay triangulator tool.
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Protein-Ligand Benchmark Dataset for Free Energy Calculations
Model-rocketry aerodynamics and trajectory simulation software
Compiles Java bytecode to JavaScript, WebAssembly and C
moved to https://codeberg.org/dirs/directories-jvm
NVIDIA Federated Learning Application Runtime Environment
๐ฎ ๐ A curated list of libGDX resources to help developers make awesome games.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
This is a Pytorch implementation of the paper: Self-Supervised Graph Transformer on Large-Scale Molecular Data
Strategies for Pre-training Graph Neural Networks
[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models
semi-supervised learning for molecular property prediction
A collection of JavaFX controls and utilities.
JME is a Java library for calculating force fields, molecular dynamics, and QSAR, designed for easy integration into scientific applications.
The Universal Tween Engine allows you to create smooth interpolations on every attribute from every object in your projects!
๐ฆ Gradle/Maven plugin to package Java applications as native Windows, MacOS, or Linux executables and create installers for them.
I wrote this simple Python script to automate the application process as I was super busy learning PS5 FIFA tricks & practicing them during the looooong lockdown.
TornadoVM: A practical and efficient heterogeneous programming framework for managed languages
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
With RNArtist, you construct a collection of RNA structures that can be gathered into RNA families, projects,...