Alternatives and similar repositories for dl-chem-101

Users that are interested in dl-chem-101 are comparing it to the libraries listed below

• paulrobustelli / CHEM101.6
  ☆126Updated last year
• HFooladi / GNNs-For-Chemists
  Implementations of different GNNs from scratch for chemists
  ☆159Updated last week
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆197Updated last month
• Sulstice / Cheminformatics-Teaching-Material
  Resources, Code, and Other things I use to teach Cheminformatics.
  ☆176Updated last year
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆212Updated 2 weeks ago
• digital-chemistry-laboratory / morfeus
  A Python package for calculating molecular features
  ☆212Updated last week
• basf / MolPipeline
  A Python package for processing molecules with RDKit in scikit-learn
  ☆210Updated last week
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆151Updated this week
• volkamerlab / ai_in_chemistry_workshop
  ai_in_chemistry_workshop
  ☆78Updated last year
• EBjerrum / rdeditor
  Simple RDKit molecule editor GUI using PySide
  ☆165Updated 11 months ago
• molmod / openmm-tutorial-msbs
  OpenMM tutorial for the MSBS course
  ☆178Updated last week
• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆258Updated last year
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆149Updated last year
• kochgroup / intro_pharma_ai
  A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.
  ☆157Updated 3 months ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆230Updated 4 months ago
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆113Updated 4 years ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆202Updated 10 months ago
• MolecularAI / deep-molecular-optimization
  Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
  ☆151Updated 2 years ago
• DrrDom / crem
  CReM: chemically reasonable mutations framework
  ☆255Updated this week
• coleygroup / molpal
  active learning for accelerated high-throughput virtual screening
  ☆196Updated last year
• schwallergroup / ai4chem_course
  EPFL CH-457 "AI for chemistry"
  ☆232Updated 7 months ago
• ur-whitelab / exmol
  Explainer for black box models that predict molecule properties
  ☆343Updated 7 months ago
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆138Updated last week
• openforcefield / openff-forcefields
  Force fields produced by the Open Force Field Initiative
  ☆173Updated 3 weeks ago
• openmm / openmm-torch
  OpenMM plugin to define forces with neural networks
  ☆218Updated 9 months ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆146Updated 10 months ago
• coleygroup / ML4MolEng
  Materials for the course Machine Learning for Molecular Engineering (3/7/10/20.C01/C51)
  ☆25Updated 7 months ago
• Mishima-syk / psikit
  psi4+RDKit
  ☆104Updated 7 months ago
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆182Updated 6 months ago
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆77Updated last year