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capsnet

A PyTorch implementation of CapsNet based on NIPS 2017 paper "Dynamic Routing Between Capsules"

chemts

Molecule Design using Monte Carlo Tree Search with Neural Rollout

django-chem-seacher

django-search-mol

framework

Machine learning, computer vision, statistics and general scientific computing for .NET

jumpserver

JumpServer 是全球首款开源的堡垒机，是符合 4A 的专业运维安全审计系统。

megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

metis

Metis is a learnware platform in the field of AIOps.

molimage2smiles

smiles from molecular graph

np-classifier

scripts for classifying nature products and synthetic molecules

pytorch-pretrained-bert

📖The Big-&-Extending-Repository-of-Transformers: Pretrained PyTorch models for Google's BERT, OpenAI GPT & GPT-2, Google/CMU Transformer-XL.

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

qbmg

QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network

rdkit

The official sources for the RDKit library

test

tftraj

Molecular dynamics trajectory analysis in Tensorflow

vue-element-admin

:tada: A magical vue admin https://panjiachen.github.io/vue-element-admin

yearning

🐳 A most popular sql audit platform for mysql