vosslab / vossvolvox

Related projects ⓘ

Alternatives and complementary repositories for vossvolvox

• dfhahn / protein-ligand-benchmark-analysis
  ☆21Updated last year
• williamdlees / AmberUtils
  Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods
  ☆19Updated 5 years ago
• vanderkamp / enlighten2
  Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems
  ☆18Updated 3 years ago
• ChenGiuseppe / PyMM
  A Python program for QM/MM Simulations based on the Perturbed Matrix Method
  ☆24Updated last year
• Hoecker-Lab / protlego
  Automated construction of protein chimeras and their analysis.
  ☆15Updated last year
• JoaoRodrigues / openmm_scripts
  Collection of Python scripts to setup and run simulations with OpenMM
  ☆14Updated 4 years ago
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆21Updated last year
• LBC-LNBio / parKVFinder
  parKVFinder: thread-level parallel KVFinder
  ☆12Updated 2 months ago
• dkoes / md-scripts
  A collections of scripts for working molecular dynamics simulations
  ☆40Updated 6 months ago
• osita-sunday-nnyigide / Pras_Server
  Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …
  ☆25Updated 4 months ago
• dkoes / show_contacts
  PyMOL Plugin for displaying polar contacts
  ☆16Updated 5 years ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆20Updated last year
• ParImmune / SINAPs
  ☆18Updated 3 years ago
• CBDD / pyMDmix
  ☆13Updated 11 months ago
• pepamengual / UEP
  ☆9Updated last year
• pamellaccar / gromacs_plumed_hremd
  A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to…
  ☆13Updated 8 months ago
• YoshidomeGroup-Hydration / gr-predictor
  ☆13Updated last year
• delemottelab / allosteric-pathways
  Building and analyzing residue interaction networks with cofactors (includes tutorial).
  ☆17Updated 3 years ago
• harry-maan / gmx_qk
  ☆20Updated last year
• wehs7661 / REMD_analysis
  A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
  ☆12Updated last year
• MobleyLab / Training
  Lab policies, training, style guides, etc.
  ☆35Updated 7 months ago
• LucyJimenez / MDanalysis_Workshop
  Workshop - Analysis of Molecular Dynamics Simulation Using Python
  ☆16Updated 4 years ago
• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆12Updated last year
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆29Updated 2 years ago
• matteoferla / rdkit_to_params
  Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file
  ☆27Updated 7 months ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆23Updated 5 months ago
• KMNitesh05 / GROMACS_tutorial
  ☆39Updated last year
• gersteinlab / STRESS
  ☆8Updated 6 years ago
• PatWalters / chembl_sim
  ChEMBL Similarity Search
  ☆17Updated 3 years ago
• chonglab-pitt / wedap
  Weighted Ensemble Data Analysis and Plotting
  ☆19Updated 2 months ago