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

• czodrowskilab / 5minfame
  ☆37Updated last year
• whitead / synspace
  Synthesis generative model
  ☆42Updated last month
• samplchallenges / SAMPL9
  ☆29Updated last year
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆24Updated last week
• aspuru-guzik-group / dionysus
  For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …
  ☆20Updated 2 years ago
• lamalab-org / MoleculeBind
  MoleculeBind is a machine-learning framework for chemistry, where we target unifying various molecular representations into one common la…
  ☆18Updated last week
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 7 months ago
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆41Updated 9 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆39Updated last week
• SEDenmarkLab / molli
  Molecular Library Toolbox
  ☆58Updated last week
• reymond-group / drfp
  An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
  ☆67Updated this week
• iribirii / icons-for-chemists
  ☆13Updated last year
• hesther / reactiondatabase
  A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.
  ☆33Updated last year
• KMNitesh05 / GROMACS_tutorial
  ☆40Updated 2 years ago
• mrodobbe / Rxn-INSIGHT
  Analyzing chemical databases and predicting reaction conditions with cheminformatics
  ☆36Updated last month
• jensengroup / protonator
  Quick and dirty protonation
  ☆16Updated 2 years ago
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆43Updated last week
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆53Updated 4 months ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• schwallergroup / minerva
  ☆12Updated 2 weeks ago
• iribirii / smiles2svg
  ☆27Updated last year
• AustinT / mol_ga
  Simple, lightweight package for genetic algorithms on molecules
  ☆56Updated 7 months ago
• PNNL-CompBio / ML_UVvisModels
  ☆13Updated last year
• rowansci / egret-public
  ☆63Updated last week
• jensengroup / mbh_catalyst_ga
  Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm
  ☆10Updated 10 months ago
• aspuru-guzik-group / Tartarus
  A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
  ☆76Updated 3 weeks ago
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago
• PodewitzLab / PyConSolv
  ☆24Updated 7 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 3 months ago
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year