Alternatives and similar repositories for hermessmiles

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

• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 6 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 3 years ago
• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆72Updated 9 months ago
• tlint101 / pharmacophore-toolkit
  Generate Simple Pharmacophore Models with RDKit
  ☆42Updated this week
• srijitseal / PKSmart
  PKSmart: Predicting PK properties using Chemical Structures
  ☆18Updated 4 months ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆53Updated last month
• CJ438837 / libraryPDB
  ☆46Updated last month
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆36Updated 10 months ago
• meister-paul-j / Basic-Cheminformatics-Pipeline
  Going through a setting up a basic cheminformatics pipeline for the target EGFR
  ☆19Updated 10 months ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆16Updated last year
• porekhov / CG_probeMD
  a pipeline for running MD simulations in the presence of probe molecules for druggability assessment
  ☆12Updated last month
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 8 months ago
• czodrowskilab / VSFlow
  ☆101Updated 11 months ago
• rochoa85 / PepFun2
  PepFun 2.0: improved protocols for the analysis of natural and modified peptides
  ☆27Updated 2 years ago
• AstraZeneca / peptide-tools
  Collection of tools to calculate properties of natural or synthetic peptides and proteins.
  ☆54Updated last month
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆36Updated 3 years ago
• molML / peptidy
  The official codebase of peptidy, a peptide processing tool for machine learning.
  ☆36Updated 9 months ago
• vktrannguyen / MLSF-protocol
  ☆41Updated 2 years ago
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆33Updated 2 years ago
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆46Updated 2 months ago
• mqcomplab / bblean
  BitBIRCH-Lean, a memory-efficient implementation of BitBIRCH designed for high-throughput clustering of huge molecular libraries
  ☆101Updated this week
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆32Updated this week
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆36Updated 3 weeks ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆46Updated 2 months ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆26Updated 3 years ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆47Updated this week
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆18Updated 6 years ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆58Updated last week
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆41Updated 7 months ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated 2 years ago