Alternatives and similar repositories for ndm1_design_scripts

Users that are interested in ndm1_design_scripts are comparing it to the libraries listed below

• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆34Updated last year
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆32Updated 6 years ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆33Updated 3 months ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆42Updated 5 years ago
• haddocking / cyclic-peptides
  Cyclic-peptide - protein complexes benchmark and associated scripts and data
  ☆11Updated 9 months ago
• ohuelab / ColabDesign-cyclic-binder
  ☆32Updated last year
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 3 years ago
• LAnAlchemist / Pseudocycle_small_molecule_binder
  Small_molecule_binder_design_use_pseudocycles
  ☆18Updated 7 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆61Updated last week
• MolecularAI / PepINVENT
  ☆37Updated 3 months ago
• bunzela / AIzymes
  ☆35Updated last week
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆33Updated 4 months ago
• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆59Updated 2 months ago
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆26Updated 3 years ago
• briandasantini / cPEPmatch
  Tool to design cyclic peptides that mimic proteins and target their binding partners.
  ☆14Updated 11 months ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆31Updated 2 weeks ago
• dfwlab / cyclicpepedia
  ☆18Updated last year
• huhlim / alphafold-multistate
  ☆40Updated last year
• THGLab / HiQBind
  Workflow to clean up and fix structural problems in protein-ligand binding datasets
  ☆46Updated last month
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated last year
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 3 years ago
• czodrowskilab / VSFlow
  ☆91Updated 4 months ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• wehs7661 / REMD_analysis
  A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
  ☆12Updated 2 years ago
• oxpig / MolSnapper
  ☆48Updated last month
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 5 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆27Updated 3 years ago
• dkoes / pharmit
  Open-source online virtual screening tools for large databases
  ☆23Updated 11 months ago