Pranavkhade / PACKMANLinks
Python package built around protein structure and dynamics. OpenBabel-inspired objects.
☆37Updated 8 months ago
Alternatives and similar repositories for PACKMAN
Users that are interested in PACKMAN are comparing it to the libraries listed below
Sorting:
- ☆47Updated last week
- An implementation of the AWSEM coarse-grained protein folding forcefield in OpenMM☆38Updated 8 months ago
- ☆33Updated 2 years ago
- ☆80Updated 3 weeks ago
- Peptide optimization with Machine Learning☆78Updated 3 years ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated 2 years ago
- Protein Sequence Design with Deep Learning and Tooling like Monte Carlo Sampling and Analysis☆63Updated 3 months ago
- Bayesian Optimization with Pretrained Protein Sequence Models☆56Updated last year
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆44Updated 5 months ago
- mdml: Deep Learning for Molecular Simulations☆50Updated 8 months ago
- The OpenMM Cookbook and Tutorials☆53Updated 2 weeks ago
- Calculation of interatomic interactions in molecular structures☆118Updated last year
- Structure prediction of alternative protein conformations☆80Updated 11 months ago
- protein conformational spaces meet machine learning☆50Updated last month
- A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"☆38Updated 2 years ago
- A simple Python library to generate model peptides☆94Updated 5 years ago
- Python interface for the RCSB PDB search API.☆65Updated 10 months ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆30Updated last month
- Material from papers from KULL centre☆71Updated last year
- Python package to atom map, correct and suggest enzymatic reactions☆41Updated last year
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer☆62Updated 5 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆117Updated this week
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆74Updated 3 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- pKa estimates for proteins using an ensemble approach☆29Updated 6 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated this week
- An application for configuring and running simulations with OpenMM☆76Updated 3 months ago
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 4 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Updated 10 months ago