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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Main repository for METAGUI3☆22Jun 19, 2021Updated 5 years ago
- Bayesian Multistate Bennett Acceptance Ratio Method☆16Jun 28, 2026Updated 3 weeks ago
- Combines FRESEAN mode analysis of a protein (based on a CG representation) with enhanced sampling using metadynamics☆16May 7, 2026Updated 2 months ago
- ☆12Jan 1, 2019Updated 7 years ago
- Example to fit parameters and run CG simulations using TorchMD and Schnet☆48Feb 4, 2022Updated 4 years 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.
- Software for the analysis and visualization of site-saturation mutagenesis experiments☆19Apr 21, 2023Updated 3 years ago
- ☆18Jan 13, 2023Updated 3 years ago
- Add CMAP parameters into common AMBER prmtop file☆14Sep 12, 2021Updated 4 years ago
- Some code examples for the Quickstart 2025 Winter School on QML☆12Feb 16, 2025Updated last year
- Simulations for light-pulse atom interferometry☆14Jul 13, 2026Updated last week
- Test for COVID-19 with the help of OT-2 robots☆12Jun 7, 2020Updated 6 years ago
- Degenerate Codon Design☆13Feb 13, 2020Updated 6 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- ☆13Aug 3, 2023Updated 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.
- BLaDE is a Basic Lambda Dynamics Engine for molecular dynamics based alchemical free energy calculations using multisite lambda dynamics …☆18Updated this week
- A PCR primer tool for DNA assembly flows☆33Apr 24, 2024Updated 2 years ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated 2 years ago
- Hands-on introduction to HPC+QPU lecture material☆19Apr 28, 2026Updated 2 months ago
- Correlation-based feature selection of Molecular Dynamics simulations☆29Jun 25, 2026Updated 3 weeks ago
- Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.☆27Aug 15, 2024Updated last year
- A framework for simulating quantum mechanical thought experiments in projectq☆19Jul 12, 2022Updated 4 years ago
- ☆17Oct 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
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space☆34Jun 22, 2026Updated 3 weeks ago
- Python program for modelling and simulating polymers.☆44Jul 6, 2026Updated 2 weeks ago
- Simulating blood flow as red blood cell (RBC) suspension in application to drug delivery system☆14Oct 26, 2019Updated 6 years ago
- A HOOMD-blue component for soft matter simulations.☆27Updated this week
- Next generation sequence parameter library for proteins☆41Jun 9, 2026Updated last month
- Hands-On Quantum Information Processing with Python, published by Packt☆20Oct 31, 2022Updated 3 years ago
- Neural Networks for Quantum Detector Tomography☆16May 3, 2019Updated 7 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆84Sep 5, 2024Updated last year
- ☆26Apr 2, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Bottom-up Open-source Coarse-graining Software☆24Jun 12, 2026Updated last month
- Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"☆23Jun 6, 2024Updated 2 years ago
- Positively Split Ewald☆21Dec 3, 2020Updated 5 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Oct 2, 2024Updated last year
- Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020☆18Dec 26, 2021Updated 4 years ago
- Towards autonomous quantum physics research using LLM agents with access to intelligent tools☆18Feb 23, 2026Updated 4 months ago