Coarse-grained simulations of biomolecular complexes
☆13Aug 2, 2023Updated 2 years ago
Alternatives and similar repositories for complexespp
Users that are interested in complexespp are comparing it to the libraries listed below
Sorting:
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Feb 8, 2026Updated last month
- Main repository for METAGUI3☆20Jun 19, 2021Updated 4 years ago
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Oct 24, 2025Updated 4 months ago
- ☆18Jan 13, 2023Updated 3 years ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆47Feb 4, 2022Updated 4 years ago
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆32Dec 18, 2025Updated 3 months ago
- Software for the analysis and visualization of site-saturation mutagenesis experiments☆19Apr 21, 2023Updated 2 years ago
- Simulations for light-pulse atom interferometry☆13Updated this week
- ☆12Jan 1, 2019Updated 7 years ago
- Bottom-up Open-source Coarse-graining Software☆21Aug 9, 2024Updated last year
- Test for COVID-19 with the help of OT-2 robots☆12Jun 7, 2020Updated 5 years ago
- Degenerate Codon Design☆13Feb 13, 2020Updated 6 years ago
- Some code examples for the Quickstart 2025 Winter School on QML☆12Feb 16, 2025Updated last year
- Add CMAP parameters into common AMBER prmtop file☆14Sep 12, 2021Updated 4 years ago
- ☆13Aug 3, 2023Updated 2 years ago
- Quantum Summer School Notebooks☆19Sep 3, 2025Updated 6 months ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated last year
- A framework for simulating quantum mechanical thought experiments in projectq☆18Jul 12, 2022Updated 3 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 5 years ago
- A PCR primer tool for DNA assembly flows☆33Apr 24, 2024Updated last year
- Correlation-based feature selection of Molecular Dynamics simulations☆29Nov 25, 2025Updated 3 months ago
- ☆18Oct 30, 2023Updated 2 years ago
- POOL (Peptide Optimization with Optimal Learning): code for "Discovering de novo peptide substrates for enzymes using machine learning"☆10Oct 18, 2018Updated 7 years ago
- Hands-On Quantum Information Processing with Python, published by Packt☆19Oct 31, 2022Updated 3 years ago
- Neural Networks for Quantum Detector Tomography☆15May 3, 2019Updated 6 years ago
- BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics …☆18Sep 16, 2025Updated 6 months ago
- Python program for modelling and simulating polymers.☆40Feb 24, 2026Updated 3 weeks ago
- Next generation sequence parameter library for proteins☆39Feb 18, 2026Updated last month
- A HOOMD-blue component for soft matter simulations.☆25Feb 2, 2026Updated last month
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆81Sep 5, 2024Updated last year
- Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"☆21Jun 6, 2024Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated last year
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- This repository contains all the python codes I have written for my undergraduate course of Computational Nuclear Physics.☆16May 28, 2022Updated 3 years ago
- MDverse web scrapper 🔎🔧📄☆15Feb 21, 2026Updated last month
- Positively Split Ewald☆21Dec 3, 2020Updated 5 years ago
- ☆26Dec 2, 2025Updated 3 months ago
- Applying Maths in the Chemical and Biomolecular Sciences by Godfrey Beddard☆17Jul 18, 2025Updated 8 months ago
- ☆18Nov 10, 2021Updated 4 years ago