Alternatives and similar repositories for hermessmiles

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

• pritampanda15 / PandaMap
  Ligand-Protein Interaction Mapping
  ☆62Updated 4 months ago
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆26Updated last month
• molML / peptidy
  The official codebase of peptidy, a peptide processing tool for machine learning.
  ☆33Updated 4 months ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆29Updated 2 weeks ago
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 3 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆52Updated 2 years ago
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆15Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 3 months ago
• rwmontalvao / Melodia_py
  Protein Structure Analysis
  ☆55Updated 2 months ago
• czodrowskilab / VSFlow
  ☆94Updated 6 months ago
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆33Updated 5 months ago
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆43Updated 2 years ago
• guyuehuo / opendock
  ☆50Updated 9 months ago
• tiwarylab / GrASP
  Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention
  ☆53Updated 2 months ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆36Updated this week
• ullahsamee / PyMOLfold
  Plugin for folding sequences directly in PyMOL
  ☆27Updated last month
• Novartis / pQSAR
  Massively multitask stacked model for predicting activity of thousands of biological assays
  ☆34Updated 4 years ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆70Updated 2 weeks ago
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆20Updated 11 months ago
• Novartis / pqsar2cpd
  pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.
  ☆30Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 3 months ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• BioComputingUP / ring-pymol
  This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua
  ☆27Updated this week
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆37Updated 3 months ago
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆34Updated 2 years ago
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆41Updated last year
• porekhov / CG_probeMD
  a pipeline for running MD simulations in the presence of probe molecules for druggability assessment
  ☆12Updated last year
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆76Updated last year
• silicogenesis / protkit
  A Unified Approach to Protein Engineering
  ☆42Updated last year
• amyguo1997 / dynamic_protein_design
  Code for deep learning guided design of dynamic proteins
  ☆29Updated last year