Alternatives and similar repositories for mols2grid

Users that are interested in mols2grid are comparing it to the libraries listed below

• wjm41 / molplotly
  add-on to plotly which show molecule images on mouseover!
  ☆253Updated last year
• chembl / ChEMBL_Structure_Pipeline
  ChEMBL database structure pipelines
  ☆203Updated 8 months ago
• MolecularAI / deep-molecular-optimization
  Molecular optimization by capturing chemist’s intuition using the Seq2Seq with attention and the Transformer
  ☆148Updated 2 years ago
• chemosim-lab / ProLIF
  Interaction Fingerprints for protein-ligand complexes and more
  ☆415Updated this week
• PatWalters / useful_rdkit_utils
  Some useful RDKit functions
  ☆183Updated 3 weeks ago
• Acellera / moleculekit
  MoleculeKit: Your favorite molecule manipulation kit
  ☆220Updated 3 weeks ago
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆188Updated 4 months ago
• mcs07 / MolVS
  Molecule Validation and Standardization
  ☆171Updated 5 years ago
• UCLCheminformatics / ScaffoldGraph
  ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…
  ☆181Updated 3 years ago
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆216Updated 2 months ago
• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆100Updated last month
• rdkit / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆235Updated last week
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆112Updated 4 years ago
• mcsorkun / ChemPlot
  A python package for chemical space visualization.
  ☆145Updated 5 months ago
• DrrDom / crem
  CReM: chemically reasonable mutations framework
  ☆234Updated last week
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆143Updated last year
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆115Updated 2 years ago
• greglandrum / rdkit_blog
  RDKit related blog posts, notebooks, and data.
  ☆137Updated last week
• EBjerrum / scikit-mol
  scikit-learn classes for molecular vectorization using RDKit
  ☆188Updated 3 weeks ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆296Updated last year
• GHeinzelmann / BAT.py
  The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…
  ☆198Updated 3 months ago
• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆189Updated last year
• BioSystemsUM / DeepMol
  DeepMol: A Machine and Deep Learning Framework for Computational Chemistry
  ☆151Updated last week
• isayevlab / Auto3D_pkg
  Auto3D generates low-energy conformers from SMILES/SDF
  ☆171Updated last week
• MolecularAI / QSARtuna
  QSARtuna: QSAR model building with the optuna framework
  ☆125Updated 7 months ago
• rxn4chemistry / rxnfp
  Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…
  ☆177Updated 3 years ago
• choderalab / yank
  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
  ☆185Updated last year
• bayer-science-for-a-better-life / Img2Mol
  ☆116Updated 2 years ago
• MorganCThomas / MolScore
  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…
  ☆185Updated last week
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago