Alternatives and similar repositories for dialect

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

• czodrowskilab / 5minfame
  ☆38Updated 2 years ago
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆42Updated last year
• dehaenw / ECFPinvert
  Algorithmic inversion of extended connectivity fingerprints (ECFP)
  ☆24Updated last year
• TUCAN-nest / TUCAN
  A molecular identifier and descriptor for all domains of chemistry.
  ☆25Updated 2 weeks ago
• MobleyLab / GuthrieSolv
  Experimental small molecule hydration free energy dataset
  ☆30Updated 3 years ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated last year
• samplchallenges / SAMPL9
  ☆31Updated 2 years ago
• baoilleach / partialsmiles
  A validating SMILES parser, with support for incomplete SMILES
  ☆29Updated 11 months ago
• denoptim-project / DENOPTIM
  DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.
  ☆38Updated 2 months ago
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆21Updated 2 years ago
• wjm41 / soapgp
  Molecular Property Prediction using GP with a SOAP kernel
  ☆21Updated 5 years ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 4 years ago
• StructureGenerator / surge
  A Fast Chemical Graph Generator
  ☆91Updated 2 years ago
• MobleyLab / chemper
  Repository for Chemical Perception Sampling Tools
  ☆21Updated last year
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆43Updated 4 months ago
• khoivan88 / pka_lookup
  Python script to lookup pKa values
  ☆26Updated 4 months ago
• rsc-ontology / rxno
  Name Reaction Ontology
  ☆44Updated this week
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆53Updated 3 years ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆47Updated 4 years ago
• nextmovesoftware / molhash
  Create molecular hashes
  ☆27Updated 6 years ago
• SMargreitter / ChemCharts
  ChemCharts is a module that allows you to plot chemical space in various figure types
  ☆16Updated 2 years ago
• coleygroup / QM-augmented_GNN
  ☆21Updated 2 years ago
• jensengroup / mbh_catalyst_ga
  Catalyst design for the Morita−Baylis−Hillman Reaction using a graph-based genetic algorithm
  ☆10Updated last year
• aspuru-guzik-group / dionysus
  For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …
  ☆21Updated 2 years ago
• Honza-R / PL-REX
  Data set of protein-ligand complexes with reliable experimental structures and affinities
  ☆44Updated 3 months ago
• choderalab / pinot
  Probabilistic Inference for NOvel Therapeutics
  ☆15Updated 3 years ago
• baoilleach / smizip
  An implementation of Roger Sayle's smizip algorithm for short string compression, like SMILES strings
  ☆11Updated 11 months ago
• aclarkxyz / web_molkit
  Web Molecular Toolkit: cheminformatics functionality in TypeScript
  ☆37Updated last month
• OpenADMET / openadmet-models
  Machine learning workflows for the OpenADMET project
  ☆35Updated this week
• KramerChristian / NonadditivityAnalysis
  Code to analyze SAR datasets for Nonadditivity
  ☆19Updated 4 years ago