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Name: Siwei Song
Type: User
Name: Siwei Song
Type: User
A tool for retrosynthetic planning
๐งโ๐ซ 50! Implementations/tutorials of deep learning papers with side-by-side notes ๐; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, ...), gans(cyclegan, stylegan2, ...), ๐ฎ reinforcement learning (ppo, dqn), capsnet, distillation, ... ๐ง
Atomic Simulation Environment - unofficial mirror from https://gitlab.com/ase/ase
Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)
Python library for generation of MOFs, COFs, Zeolites...
A Python-Based wrapper for the NASA CEA Thermochemical Code
Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
A python package for chemical space visualization.
A deep learning package for many-body potential energy representation and molecular dynamics
This repository contains implementations and illustrative code to accompany DeepMind publications
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Python package for graph neural networks in chemistry and biology
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
DScribe is a python package for creating machine learning descriptors for atomistic systems.
Pytorch๐๐ is delicious, just eat it! ๐๐
Frรฉchet ChemNet Distance: A quality measure for generative models for molecules
A rehaul of the glosim code, adding new features and removing many unused ones.
Genetic Programming in Python, with a scikit-learn inspired API
Pytorch Implementation for Graph Convolutional Neural Networks
Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015
Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry Benchmark, ICLR 2019
Supplementary Materials for Tshitoyan et al. "Unsupervised word embeddings capture latent knowledge from materials science literature", Nature (2019).
A simple and fast python library to handle the data generated from molecular dynamics simulations
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
melting point prediction by GNN and other methods
Molecular machine learning toolkit
Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation
Molecule Validation and Standardization
Convolutional nets which can take molecular graphs of arbitrary size as input.
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A declarative, efficient, and flexible JavaScript library for building user interfaces.
๐ 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. ๐๐๐
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 โค๏ธ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.