dabrze / CheckMyBlobLinks
Machine learning experiments for CheckMyBlob
☆13Updated 7 years ago
Alternatives and similar repositories for CheckMyBlob
Users that are interested in CheckMyBlob are comparing it to the libraries listed below
Sorting:
- Analysis of non-covalent interactions in MD trajectories☆58Updated 5 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆25Updated this week
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆59Updated this week
- Software for the prediction of DEER and PRE data from conformational ensembles.☆12Updated last month
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- A python toolkit for analysing membrane protein-lipid interactions.☆63Updated 2 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 4 years ago
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆71Updated 5 months ago
- Predict allosteric pockets on proteins☆15Updated 3 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆62Updated 4 years ago
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆60Updated last year
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- ☆42Updated last month
- FreeSASA Python Module☆54Updated last year
- qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.☆45Updated this week
- 3D ligand-based pharmacophore modeling☆49Updated last month
- Trusted force field files for gromacs☆52Updated 8 months ago
- ☆66Updated 2 weeks ago
- (outdated) fork of https://gitlab.com/gromacs/gromacs☆53Updated 2 years ago
- Modeling with limited data☆58Updated 7 months ago
- Calculation of interatomic interactions in molecular structures☆98Updated 9 months ago
- ☆32Updated 8 months ago
- ☆68Updated 11 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆29Updated 5 months ago
- a VMD plugin for binding affinity prediction using end-point free energy methods☆28Updated 9 years ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆57Updated 3 months ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- Random Acceleration Molecular Dynamics in GROMACS☆37Updated 11 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated last week