Alternatives and similar repositories for rainbow

Users that are interested in rainbow are comparing it to the libraries listed below

• Bayer-Group / MOCCA
  ☆35Updated 9 months ago
• whitead / molcloud
  Make a bunch of molecules
  ☆97Updated last year
• HaasCP / mocca
  Deprecated open-source Python project to analyze HPLC–DAD raw data.
  ☆42Updated last year
• cremerlab / hplc-py
  A Python utility for the processing and quantification of chromatography data
  ☆64Updated 3 months ago
• kmansouri / OPERA
  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy as…
  ☆115Updated 7 months ago
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆74Updated 2 months ago
• PatWalters / chem_tutorial
  ☆90Updated 4 years ago
• MolSSI-Education / python-package-best-practices
  Hands-on workshop showing good software development practices to create a Python package.
  ☆42Updated 6 months ago
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆202Updated 3 months ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆95Updated this week
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆35Updated 2 months ago
• mqcomplab / bblean
  BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
  ☆106Updated this week
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆31Updated 11 months ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆103Updated 2 months ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆62Updated 9 months ago
• Novartis / UNIQUE
  A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.
  ☆42Updated 2 weeks ago
• BAMeScience / fiora
  Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…
  ☆47Updated 3 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated 2 years ago
• thatchemistryguy / PyParse
  Automated analysis of LCMS data for high throughput chemistry experiments
  ☆23Updated last month
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆62Updated 6 months ago
• Tsjerk / Insane
  INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems
  ☆76Updated last year
• KMNitesh05 / GROMACS_tutorial
  ☆40Updated 2 years ago
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆54Updated 3 years ago
• pamellaccar / gromacs_with_packmol
  A fast and simple Molecular Dynamics tutorial using GROMACS and PACKMOL.
  ☆38Updated 2 years ago
• Psivant / femto
  A comprehensive toolkit for predicting free energies
  ☆58Updated last year
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆93Updated 2 months ago
• pstansfeld / MemProtMD
  ☆47Updated 2 weeks ago
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆94Updated last year
• InformaticsMatters / pipelines
  Containerised components for cheminformatics and computational chemistry
  ☆36Updated 2 years ago
• rinikerlab / lightweight-registration
  lwreg is a lightweight registration system for chemical registration and data storage.
  ☆81Updated last week