pstansfeld / MemProtMDLinks
☆45Updated 2 weeks ago
Alternatives and similar repositories for MemProtMD
Users that are interested in MemProtMD are comparing it to the libraries listed below
Sorting:
- ☆78Updated last month
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 weeks ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 6 months ago
- ☆69Updated last year
- Calculation of interatomic interactions in molecular structures☆112Updated last year
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated 3 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆112Updated last week
- ☆34Updated 2 years ago
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated 7 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 5 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated this week
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last week
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆62Updated 2 weeks ago
- Cloud-based Drug Binding Structure Prediction☆44Updated 3 weeks ago
- Fully automated high-throughput MD pipeline☆84Updated 3 months ago
- Modelling of Large Protein Complexes☆38Updated 4 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆32Updated last month
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated last week
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆72Updated last month
- Modeling with limited data☆59Updated 4 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 5 months ago
- Python interface for the RCSB PDB search API.☆65Updated 8 months ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 9 months ago
- ☆67Updated 7 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆23Updated last year
- ☆34Updated last year
- Analysis of non-covalent interactions in MD trajectories☆65Updated 11 months ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated 2 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆55Updated last month
- ☆32Updated 2 years ago