Alternatives and similar repositories for ord-schema

Users that are interested in ord-schema are comparing it to the libraries listed below

• patonlab / CASCADE
  CAlculation of NMR Chemical Shifts using Deep LEarning
  ☆62Updated 2 years ago
• doyle-lab-ucla / auto-qchem
  Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
  ☆114Updated 4 months ago
• MolecularAI / reaction_utils
  Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
  ☆84Updated last month
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆150Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆77Updated 7 months ago
• yanfeiguan / QM_descriptors_calculation
  ☆17Updated 4 years ago
• connorcoley / scscore
  ☆110Updated 4 years ago
• cimm-kzn / CGRtools
  CGRs, molecules and reactions manipulation
  ☆50Updated 3 years ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆215Updated last week
• patonlab / DBSTEP
  DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric descriptors from essentially any structure …
  ☆55Updated last year
• chython / chython
  Library for processing molecules and reactions in python way
  ☆46Updated 2 weeks ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 5 years ago
• patonlab / Sterimol
  Calculate Sterimol Parameters from Sructure Input/Output Files
  ☆24Updated 7 months ago
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆154Updated 2 years ago
• osmoai / osmordred
  Mordred port in cpp
  ☆53Updated 10 months ago
• EliLillyCo / LillyMol
  LillyMol Public Code
  ☆130Updated 4 months ago
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆59Updated 2 months ago
• mqcomplab / bitbirch
  BitBIRCH clustering algorithm
  ☆116Updated 2 months ago
• NREL / alfabet
  Machine learning predictions of bond dissociation energy
  ☆66Updated last year
• molinfo-vienna / CDPKit
  The Chemical Data Processing Toolkit
  ☆107Updated this week
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆82Updated 2 months ago
• josejimenezluna / delfta
  Δ-QML for medicinal chemistry
  ☆105Updated 8 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• reymond-group / RAscore
  Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning
  ☆91Updated 4 years ago
• dylanwal / chemistry_drawer
  Draw molecules with plotly!
  ☆52Updated last month
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆136Updated 2 months ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆85Updated last year
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆167Updated last year
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆51Updated last month
• patonlab / wSterimol
  Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents
  ☆32Updated 3 years ago