DongqiangHe

DongqiangHe's Stars

• ncats/molvec

  A feeble attempt at molecular recognition (in the literal sense)

  Language:Java5922

• thsa/datawarrior

  Interactive data analysis and visualisation with chemical intelligence

  Language:Java9521

• TeselaGen/tg-oss

  Teselagen Open Source modules

  Language:JavaScript4117

• cando-developers/cando

  Cando chemistry language

  Language:C++16612

• TeselaGen/ve-sequence-utils

  DNA/RNA/AA sequence manipulation utility functions

  Language:JavaScript1912

• jgrapht/jgrapht

  Master repository for the JGraphT project

  Language:Java2.6k828

• Actelion/openchemlib

  Open source Java-based chemistry library

  Language:Java8530

• MolecularAI/aizynthfinder

  A tool for retrosynthetic planning

  Language:Python588134

• madskristensen/Miniblog.Core

  An ASP.NET Core blogging engine

  Language:JavaScript1.5k498

• commandlineparser/commandline

  The best C# command line parser that brings standardized *nix getopt style, for .NET. Includes F# support

  Language:C#4.6k478

• wrpearson/fasta36

  Git repository for FASTA36 sequence comparison software

  Language:C11816

• molinfo-vienna/CDPKit

  The Chemical Data Processing Toolkit

  Language:C++719

• scikit-learn/scikit-learn

  scikit-learn: machine learning in Python

  Language:Python59.9k25.4k

• dotnet/machinelearning

  ML.NET is an open source and cross-platform machine learning framework for .NET.

  Language:C#9k1.9k

• accord-net/framework

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

  Language:C#4.5k2k

• shimat/opencvsharp

  OpenCV wrapper for .NET

  Language:C#5.4k1.2k

• dan2097/opsin

  Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion

  Language:Java15332

• dotnet/runtime

  .NET is a cross-platform runtime for cloud, mobile, desktop, and IoT apps.

  Language:C#15.2k4.7k

• Kohulan/DECIMER-Java

  Deep Learning for Chemical Image Recognition (DECIMER)

  Language:Java189

• reymond-group/tmap

  A very fast visualization library for large, high-dimensional data sets.

  Language:C++21229

• rxn4chemistry/rxnfp

  Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

  Language:HTML15740

• RicoSuter/NSwag

  The Swagger/OpenAPI toolchain for .NET, ASP.NET Core and TypeScript.

  Language:C#6.8k1.3k

• jamestrimble/ijcai2017-partitioning-common-subgraph

  Code and experiments for the paper "A Partitioning Algorithm for Maximum Common Subgraph Problems"

  131

• awslabs/dgl-lifesci

  Python package for graph neural networks in chemistry and biology

  Language:Python719149

• rxn4chemistry/rxnmapper

  RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).

  Language:Python28868

• graphstream/gs-algo

  Graphstream algo

  Language:Java10168

• bigchem/synthesis

  Contains results and data from Augmented Transformer article

  Language:Python349

• zguo235/bayesian_retro

  A bayesian retrosynthesis algorithm

  Language:Python126

• papercodekl/MolecularGET

  Language:Python133

• milvus-io/milvus

  A cloud-native vector database, storage for next generation AI applications

  Language:Go30.2k2.9k