Alternatives and similar repositories for practical-programming-in-chemistry-exercises

Users that are interested in practical-programming-in-chemistry-exercises are comparing it to the libraries listed below

• lamalab-org / MoleculeBind
  MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…
  ☆19Updated last week
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆41Updated 10 months ago
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 8 months ago
• samplchallenges / SAMPL9
  ☆29Updated last year
• czodrowskilab / 5minfame
  ☆37Updated last year
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆43Updated 2 weeks ago
• iribirii / smiles2svg
  ☆27Updated last year
• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 3 months ago
• JacksonBurns / py2opsin
  Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature
  ☆58Updated 5 months ago
• SEDenmarkLab / molli
  Molecular Library Toolbox
  ☆58Updated 2 weeks ago
• O-Schilter / Clipboard-to-SMILES-Converter
  Converts clipboard content to smiles and much more
  ☆61Updated last year
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆68Updated 3 weeks ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆39Updated 3 weeks ago
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆56Updated 7 months ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆36Updated 3 weeks ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• jensengroup / protonator
  Quick and dirty protonation
  ☆16Updated 3 years ago
• coleygroup / sparrow
  ☆51Updated 2 months ago
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• RPirie96 / RGMolSA
  ☆34Updated last year
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆54Updated 5 months ago
• OpenFreeEnergy / ExampleNotebooks
  Notebooks demonstrating how to do simple tasks related to free energy calculations.
  ☆45Updated this week
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated 10 months ago
• whitead / marvis
  VMD Audio/Text control with natural language
  ☆19Updated 4 years ago
• iribirii / icons-for-chemists
  ☆13Updated last year
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 3 months ago
• rowansci / egret-public
  ☆66Updated 2 weeks ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆61Updated 2 weeks ago