MSDP4DOM

MSDP4DOM's Stars

• kheyer/Retrosynthesis-Prediction

  Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation

  Language:Jupyter Notebook5612

• MolecularAI/reaction_utils

  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.

  Language:Python6813

• binary-husky/gpt_academic

  为GPT/GLM等LLM大语言模型提供实用化交互接口，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm3等本地模型。接入通义千问, deepseekcoder, 讯飞星火, 文心一言, llama2, rwkv, claude2, moss等。

  Language:Python66.7k8.2k

• networkx/networkx

  Network Analysis in Python

  Language:Python15.2k3.3k

• thunlp/GNNPapers

  Must-read papers on graph neural networks (GNN)

  16.2k3k

• schrodinger/schrodingerdeepchem

  Deep-learning models for Drug Discovery and Quantum Chemistry

  Language:Python277

• Python-World/python-mini-projects

  A collection of simple python mini projects to enhance your python skills

  Language:Python15.2k5k

• MSDP4DOM/research-method

  论文写作与资料分享

  1

• jimdevops19/PythonOOP

  The Original Code repository for my Python OOP Series

  Language:Python501367

• PEESEgroup/Pure-Component-Property-Estimation

  Language:Jupyter Notebook253

• simonmb/UManSysProp_public

  Source code for predictive techniques provided in the UManSysProp facility.

  Language:Python1

• kadriand/solvents-camd

  CAMD application in order to identify the best solvent for certain application

  Language:Java2

• jjgomera/pychemqt

  pychemqt intended as a free software tool for calculation and design of unit operations in chemical engineering. The goal is to obtain an equivalent free software to CHEMCAD or hysys. It is written in python using qt as graphics libraries, so is cross-platform.

  Language:Python14934

• rdkit/rdkit

  The official sources for the RDKit library

  Language:HTML2.7k890

• aymericdamien/TensorFlow-Examples

  TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)

  Language:Jupyter Notebook43.5k14.9k

• curieshicy/JRgui

  Python GUI program for a quick estimation of physicochemical properties of molecules.

  Language:Python4115

• DBGConline/DBGC_distance-based_group_contribution

  This is used to implement distace-based group contribution (DBGC) method

  Language:Groff3

• aakanksha-gubbala/unifac

  Implementation of UNIFAC group contribution method in MATLAB

  Language:MATLAB41

• gpavanb-old/GroupContribution

  MATLAB class to calculate physical properties using only functional groups

  Language:Matlab21

• DingpingZhang/MoleSplit

  This project is used to disassembly of molecular structure for Group Contribution Method.

  Language:C#92

• bdu91/group-contribution

  Calculation of standard Gibbs free energy of reaction as a function of temperature

  Language:Python94

• Pyomo/pyomo

  An object-oriented algebraic modeling language in Python for structured optimization problems.

  Language:Python2.1k526

• eugeneyan/applied-ml

  📚 Papers & tech blogs by companies sharing their work on data science & machine learning in production.

  27.5k3.7k

• hsiaocy/Beads

  BEADS: Baseline Estimation And Denoising w/ Sparsity Python version

  Language:Python1615

• YoulianBoshi/vpn

  2.7k441

• jackzhenguo/python-small-examples

  告别枯燥，致力于打造 Python 实用小例子，更多Python良心教程见 https://ai-jupyter.com

  Language:Python8k1.8k

• mzmine/mzmine2

  MZmine 2 source code repository

  Language:Java131132

• TheAlgorithms/Python

  All Algorithms implemented in Python

  Language:Python196k46.1k

• instillai/TensorFlow-Course

  :satellite: Simple and ready-to-use tutorials for TensorFlow

  Language:Jupyter Notebook16.4k3.2k