Alternatives and similar repositories for 5minfame

Users that are interested in 5minfame are comparing it to the libraries listed below

• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆39Updated this week
• rdkit / PREFER
  ☆28Updated last year
• greglandrum / aisem23
  Repository for the SCS Spring School on Digital Chemistry
  ☆20Updated 2 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• RPirie96 / RGMolSA
  ☆34Updated last year
• osmoai / osmordred
  Mordred port in cpp
  ☆49Updated 3 months ago
• oxpig / CoPriNet
  Deep learning for compound price prediction
  ☆19Updated 9 months ago
• vfscalfani / CSN_tutorial
  Jupyter Notebook Tutorials for Creating Chemical Space Networks
  ☆35Updated last year
• samplchallenges / SAMPL9
  ☆29Updated last year
• rdkit / UGM_2023
  Materials from the 2023 RDKit UGM
  ☆34Updated last year
• VlachosGroup / AIMSim
  A Python toolbox to work with molecular similarity
  ☆40Updated 9 months ago
• choderalab / qmlify
  ☆43Updated 3 years ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆53Updated 4 months ago
• rdkit / UGM_2021
  Materials from the (virtual) 2021 RDKit UGM
  ☆38Updated 3 years ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆29Updated this week
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆61Updated this week
• mobiochem / MoBioTools
  A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…
  ☆29Updated last year
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆65Updated last year
• matteoferla / molecular_rectifier
  Given an RDKit molecule that does not sanitise, correct it until it does
  ☆41Updated last year
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆33Updated last year
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆41Updated last year
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• jr-marchand / caviar
  // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
  ☆44Updated last year
• iribirii / smiles2svg
  ☆27Updated last year
• Academich / reagents
  Reagent prediction with Molecular Transformer. Improvement of data for reaction product prediction in a self-supervised fashion.
  ☆24Updated 7 months ago
• lich-uct / syba
  Synthetic Bayesian Classification
  ☆43Updated 4 years ago
• jensengroup / protonator
  Quick and dirty protonation
  ☆16Updated 2 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• OpenFreeEnergy / cinnabar
  Package for consistent reporting of relative free energy results
  ☆39Updated last month