Pranavkhade / PACKMANLinks
Python package built around protein structure and dynamics. OpenBabel-inspired objects.
☆36Updated 4 months ago
Alternatives and similar repositories for PACKMAN
Users that are interested in PACKMAN are comparing it to the libraries listed below
Sorting:
- ☆45Updated 5 months ago
- ☆72Updated this week
- The OpenMM Cookbook and Tutorials☆47Updated 2 weeks ago
- An application for configuring and running simulations with OpenMM☆74Updated 2 weeks ago
- A Python package to calculate, visualize and analyze correlation maps of proteins.☆41Updated last month
- Python interface for the RCSB PDB search API.☆65Updated 6 months ago
- Material from papers from KULL centre☆69Updated last year
- protein conformational spaces meet machine learning☆47Updated 3 months ago
- A simple Python library to generate model peptides☆88Updated 4 years ago
- ☆32Updated last year
- Structure prediction of alternative protein conformations☆79Updated 7 months ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 4 months ago
- Calculation of interatomic interactions in molecular structures☆108Updated last year
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated 2 years ago
- AlphaLink2: Integrating crosslinking MS data into Uni-Fold-Multimer☆58Updated last month
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆68Updated last month
- Pymol ScrIpt COllection (PSICO)☆61Updated 2 months ago
- To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.☆27Updated 5 months ago
- pKa estimates for proteins using an ensemble approach☆29Updated 3 months ago
- Modeling with limited data☆59Updated 3 months ago
- an integrated tool for molecular docking and virtual screening☆72Updated 3 months ago
- mmCIF Core Access Library☆48Updated this week
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆61Updated 3 weeks ago
- Python package to atom map, correct and suggest enzymatic reactions☆39Updated last year
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆46Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 3 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated this week
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago
- Differentiable Pairing using Alignment-based Language Models☆24Updated last year