Protein preparation for MD, made faster and easier !
☆15Dec 18, 2023Updated 2 years ago
Alternatives and similar repositories for PDBASER
Users that are interested in PDBASER are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A 🍔 menu animation based on a SVG paths and CSS animations☆13Feb 15, 2022Updated 4 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆17Dec 26, 2022Updated 3 years ago
- a protein descriptor for site prediction☆16Aug 9, 2019Updated 6 years ago
- Create Mermaid graphs for NX dependencies☆18Feb 1, 2024Updated 2 years ago
- A curated list of awesome protein design research, software and resources.☆16May 10, 2022Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Mar 13, 2026Updated last month
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆31May 29, 2021Updated 4 years ago
- ☆11Sep 2, 2024Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 2 months ago
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆15Jan 1, 2025Updated last year
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Nov 27, 2025Updated 5 months ago
- Demos of many Rosetta applications☆25Jun 10, 2025Updated 10 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Count and compare 16S rRNA genes within a genus☆16Aug 1, 2024Updated last year
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆20Oct 31, 2019Updated 6 years ago
- Visualize structure data from Biotite with PyMOL☆26Mar 16, 2025Updated last year
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆12Feb 22, 2022Updated 4 years ago
- ProQDock is a Protein-Protein docking scoring program that uses high level coordinate driven features compiled and trained by a Support V…☆11Dec 11, 2021Updated 4 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆13Jan 9, 2026Updated 3 months ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Nov 12, 2021Updated 4 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- This is meant to be a ray tracer in golang☆12Dec 31, 2023Updated 2 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- This repository contains the inference, model and tokenizer code for the Molecular Fingerprinting model MFBERT.☆12Nov 8, 2021Updated 4 years ago
- ☆11Jan 2, 2021Updated 5 years ago
- Predicting Protein – Ligand Interaction by using Deep Learning Models☆11Nov 13, 2018Updated 7 years ago
- Repo hosting the MetFrag website☆10Apr 6, 2026Updated 3 weeks ago
- Python package and command line tool for epitope prediction☆53Aug 2, 2024Updated last year
- An open-source redundant distributed storage network☆18Oct 3, 2014Updated 11 years ago
- A simple yet versatile toolkit to setup quantum mechanical/molecular mechanical (QM/MM) calculations from molecular dynamics trajectories…☆30Jan 23, 2024Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- 3D ligand-based pharmacophore modeling☆53Apr 18, 2026Updated 2 weeks ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- ☆10Mar 29, 2023Updated 3 years ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- ☆13Sep 8, 2021Updated 4 years ago
- Prediction of Protein-Small molecule binding affinities☆21Oct 1, 2025Updated 7 months ago
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Sep 27, 2022Updated 3 years ago