Alternatives and similar repositories for fastprop:

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

• lukasturcani / atomlite
  Store your chemical data in a single file!
  ☆12Updated this week
• TUCAN-nest / TUCAN
  A molecular identifier and descriptor for all domains of chemistry.
  ☆24Updated last month
• JelfsMaterialsGroup / stko
  A collection of molecular optimisers and property calculators for use with stk.
  ☆23Updated 2 months ago
• cernaklab / jchemed-chemoinformatics
  ☆11Updated last year
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆45Updated last month
• alejandrosantanabonilla / pysoftk
  Python program for modelling and simulating polymers.
  ☆29Updated last week
• AstraZeneca / hsqc_structure_elucidation
  Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …
  ☆14Updated last year
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated 10 months ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆33Updated last year
• czodrowskilab / x-fp
  ☆15Updated last year
• RPirie96 / RGMolSA
  ☆33Updated 11 months ago
• NoahHenrikKleinschmidt / buildamol
  A fragment-based molecular assembly toolkit
  ☆27Updated last week
• alexarnimueller / surf
  Simple User-Friendly Reaction Format
  ☆17Updated 3 months ago
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆31Updated last month
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆40Updated 4 years ago
• Laboratoire-de-Chemoinformatique / Reaction_Data_Cleaning
  Chemical reaction data cleaning
  ☆30Updated 2 years ago
• aspuru-guzik-group / dionysus
  For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …
  ☆19Updated last year
• hutchisonlab / QupKake
  Machine Learning model for molecular micro-pKa prediction
  ☆38Updated 4 months ago
• jvalegre / robert
  Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Ch…
  ☆44Updated this week
• jeffrichardchemistry / molbokeh
  A new python package to visualize molecules in dots hover
  ☆12Updated last year
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆37Updated 6 months ago
• duartegroup / molfunc
  fast functionalisation of molecules
  ☆36Updated 3 years ago
• patonlab / molcomplex
  Command line and webapp for retrosynthetic disconnections, molecular complexity and synthetic accessibility metrics
  ☆14Updated 6 months ago
• whitead / synspace
  Synthesis generative model
  ☆36Updated last year
• PodewitzLab / PyConSolv
  ☆21Updated 4 months ago
• patonlab / DBSTEP
  DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …
  ☆50Updated 3 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆37Updated 10 months ago
• michellab / RBFENN
  ☆10Updated 2 years ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆37Updated 2 weeks ago