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Name: Tomato_Is_Fruit
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Name: Tomato_Is_Fruit
Type: User
This repository is a list of machine learning libraries written in Rust. It's a compilation of GitHub repositories, blogs, books, movies, discussions, papers, etc. 🦀
A Python library and command line interface for automated free energy calculations
Library for reading and writing chemistry files
textbook for C++17
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
A deep learning package for many-body potential energy representation and molecular dynamics
Python package built to ease deep learning on graph, on top of existing DL frameworks.
A package for MD, Docking and Machine learning drug discovery pipeline
Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a pdb file, create the simulation system (box, add water and ions) and run minimisation, equilibration and production run.
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2021 supported).
研究室のPCのセットアップ資料
Universal extensible molecular simulation engine
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Graph deep learning library for materials
simple MD simulation program written in rust
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
MD on google colab
分子シミュレーションの理論や関連するトピックをまとめたノート
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules.
🦑 Pytorch implementation of MolGAN: An implicit generative model for small molecular graphs.
A collection for Nerual Network Models for chemistry
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
Machine Learning for Engineers
piecewise-regression (aka segmented regression) in python. For fitting straight line models to data with one or more breakpoints where the gradient changes.
Perform high-throughput polymer molecular dynamics simulations with ease
C++ Programming Tutorial in Chemistry
PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
🕸 Web apps in pure Python 🐍
書籍「つくりながら学ぶ! PyTorchによる発展ディープラーニング」の実装コードを配置したリポジトリです
Quantum deep field for molecule
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.