BigWZhu

BigWZhu's Stars

• ccdc-opensource/csd-python-api-scripts

  Example scripts using the CSD Python API

  Language:Jupyter Notebook5719

• notepad-plus-plus/notepad-plus-plus

  Notepad++ official repository

  Language:C++22.5k4.5k

• cadet/CADET-Match

  CADET Parameter estimation engine

  Language:HTML91

• XinhaoLi74/SmilesPE

  SMILES Pair Encoding: A data-driven substructure representation of chemicals

  Language:Jupyter Notebook17530

• samoturk/mol2vec

  Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

  Language:Python253110

• fastai/nbdev_template

  Template for nbdev projects

  Language:Python29099

• microsoft/Graphormer

  Graphormer is a general-purpose deep learning backbone for molecular modeling.

  Language:Python2.1k332

• deepchem/deepchem

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

  Language:Python5.4k1.7k

• hsiaoyi0504/awesome-cheminformatics

  A curated list of Cheminformatics libraries and software.

  677112

• Kohulan/DECIMER-Image_Transformer

  DECIMER: Deep Learning for Chemical Image Recognition using Efficient-Net V2 + Transformer

  Language:Python18050

• zaixizhang/MGSSL

  Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"

  Language:Python10715

• CalebBell/thermo

  Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

  Language:Python612114

• maxhodak/keras-molecules

  Autoencoder network for learning a continuous representation of molecular structures.

  Language:Python519146

• HIPS/molecule-autoencoder

  A project to enable optimization of molecules by transforming them to and from a continuous representation.

  Language:Python15352

• cxhernandez/molencoder

  Molecular AutoEncoder in PyTorch

  Language:Python8617

• ivmech/ivPID

  Python PID Controller

  Language:Jupyter Notebook513211

• automl/RoBO

  RoBO: a Robust Bayesian Optimization framework

  Language:Python479133

• hirschmann/pid-autotune

  PID-controller/brewing kettle simulation

  Language:Python14240

• matenure/GNNbook_related

  《图神经网络：基础与前沿》相关资料

  4511

• kigawas/fastapi-django

  FastAPI with Django ORM

  Language:Python24828

• MushroomMaula/fastapi_login

  FastAPI-Login tries to provide similar functionality as Flask-Login does.

  Language:Python63057

• liaogx/fastapi-tutorial

  整体的介绍 FastAPI，快速上手开发，结合 API 交互文档逐个讲解核心模块的使用。视频学习地址：

  Language:JavaScript1.1k320

• zhuinfo/Django-ERP

  Django-ERP是一款基于Django开发的ERP管理软件，包含常用的销售管理、采购管理、库存管理、组织管理等，支持按项目归集费用，支持工作流审批，支持采购单、报价单的批量导入。

  Language:Python1.3k778

• cdoco/learn-regex-zh

  :cn: 翻译: 学习正则表达式的简单方法

  2.6k475

• barbagroup/CFDPython

  A sequence of Jupyter notebooks featuring the "12 Steps to Navier-Stokes" http://lorenabarba.com/

  Language:Jupyter Notebook3.3k1.2k

• pplonski/my_ml_service

  My Machine Learning Web Service

  Language:Python614164

• CalebBell/ht

  Heat transfer component of Chemical Engineering Design Library (ChEDL)

  Language:Python18933

• dimagi/django-prbac

  Language:Python13838

• alamsha/Ignition-React-Django-JSON-Realtime

  Aiming to build a JSON+OPC UA server on Django with Python

  Language:JavaScript42

• flatlogic/light-blue-dashboard

  🔥 Free and open-source admin dashboard template built with Bootstrap

  Language:Handlebars15459