TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

The Rust Programming Language

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.

Leverage the flexibility of Jupyterlab through the power of your NVIDIA GPU to run your code from Tensorflow and Pytorch in collaborative notebooks on the GPU.

Google Research

Re-implementation of Network-Based Pathway Enrichment Analysis

An open source framework that provides a simple, universal API for building distributed applications. Ray is packaged with RLlib, a scalable reinforcement learning library, and Tune, a scalable hyp…

tensorflow를 사용하여 텍스트 전처리부터, Topic Models, BERT, GPT와 같은 최신 모델의 다운스트림 태스크들을 정리한 Deep Learning NLP 저장소입니다.

Quantum Optimization

Mathematica application to help study quantum information processing, quantum many-body systems, and quantum spin systems.

A compilation of the Mathematica(R) Notebook files that have been used to generate the demonstrations in "A Quantum Computation Workbook".

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Code for testing various M1 Chip benchmarks with TensorFlow.

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.

The official sources for the RDKit library

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

A Cuda/Thrust implementation of fingerprint similarity searching

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an a…

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

To eventually become an unofficial Pytorch implementation / replication of Alphafold2, as details of the architecture get released

Open source code for AlphaFold.

This package contains deep learning models and related scripts for RoseTTAFold

Lovely console emulator package for Windows