Alternatives and similar repositories for molcloud:

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

• volkamerlab / opencadd
  A Python library for structural cheminformatics
  ☆99Updated last week
• ppqm / ppqm
  Enable cheminformatics and quantum chemistry
  ☆74Updated last year
• joofio / py4chemoinformatics
  Python for chemoinformatics
  ☆110Updated 4 years ago
• PatWalters / chem_tutorial
  ☆91Updated 3 years ago
• whitead / molbloom
  Molecular bloom filter tool
  ☆116Updated last week
• openkinome / kinoml
  Structure-informed machine learning for kinase modeling
  ☆53Updated this week
• Aouidate / Chemoinformatics-tutos
  Compilation of chemoinformatics and machine learning techniques
  ☆57Updated last year
• AstraZeneca / jazzy
  Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules.
  ☆83Updated 3 months ago
• MolSSI-Education / iqb-2025
  ☆57Updated this week
• AstexUK / ESP_DNN
  A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces
  ☆88Updated 2 years ago
• wlsong / PyLipID
  A python toolkit for analysing membrane protein-lipid interactions.
  ☆63Updated 2 years ago
• rdkit / UGM_2020
  Materials from the (virtual) 2020 RDKit UGM
  ☆52Updated 4 years ago
• cole-group / FEgrow
  An Open-Source Molecular Builder and Free Energy Preparation Workflow
  ☆123Updated last month
• reymond-group / map4
  The MinHashed Atom Pair fingerprint of radius 2
  ☆114Updated 2 years ago
• michellab / BioSimSpace
  Code and resources for the EPSRC BioSimSpace project.
  ☆79Updated 6 months ago
• PDBeurope / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆92Updated 8 months ago
• MDAnalysis / WorkshopMDMLEdinburgh2022
  ☆64Updated last year
• BTheDragonMaster / pikachu
  Python-based Informatics Kit for Analysing Chemical Units
  ☆71Updated 10 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆61Updated last week
• matteoferla / Fragmenstein
  Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse
  ☆187Updated 3 months ago
• pnnl / isicle
  In silico chemical library engine for high-accuracy chemical property prediction
  ☆60Updated this week
• rowansci / egret-public
  ☆52Updated this week
• hesther / espsim
  Scoring of shape and ESP similarity with RDKit
  ☆214Updated last month
• PatWalters / rd_filters
  A script to run structural alerts using the RDKit and ChEMBL
  ☆139Updated last year
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated 2 years ago
• wolberlab / OpenMMDL
  Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
  ☆127Updated last week
• OpenBioSim / biosimspace
  An interoperable Python framework for biomolecular simulation.
  ☆109Updated last month
• 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…
  ☆197Updated 2 months ago
• drorlab / pensa
  PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.
  ☆137Updated 2 months ago
• Gallicchio-Lab / AToM-OpenMM
  OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
  ☆132Updated last month