☆10Dec 27, 2019Updated 6 years ago
Alternatives and similar repositories for RESP2
Users that are interested in RESP2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆20Jul 16, 2026Updated 3 months ago
- Create molecular hashes☆27Jul 18, 2019Updated 7 years ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆25Nov 8, 2022Updated 3 years ago
- CheTo - Chemical Topic Modeling☆34Apr 12, 2021Updated 5 years ago
- Command line interface for MDAnalysis☆23Aug 4, 2026Updated 2 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated 6 months ago
- Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form☆13Jul 27, 2018Updated 8 years ago
- A wrapper for Multiwfn (Linux) written in bash.☆11Sep 10, 2019Updated 7 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆57Nov 26, 2025Updated 11 months ago
- Chemical perception tree automated exploration tool.☆20Aug 14, 2018Updated 8 years ago
- Spectral Gap Optimization of Parameters☆18Mar 28, 2020Updated 6 years ago
- Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.☆16Jun 24, 2021Updated 5 years ago
- Resources for and by the #codingForChemists Discord community!☆10Jun 18, 2023Updated 3 years ago
- Source code for HOLE program.☆42Aug 15, 2024Updated 2 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.
- Solv@TUM - The Solvation Free Energy Database☆15Mar 31, 2024Updated 2 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆149Updated this week
- ☆11Jul 18, 2022Updated 4 years ago
- MDAnalysis tool to calculate membrane curvature.☆37Updated this week
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆13Mar 3, 2010Updated 16 years ago
- A terminal application UI framework, written in Rust.☆16Updated this week
- Force aggregation code aimed at coarse-grained molecular dynamics☆10Feb 25, 2026Updated 8 months ago
- A JuliaQuantum package for simulations of quantum computers.☆12Jul 30, 2020Updated 6 years ago
- A voxel based approach for dynamic cluster analysis of molecular dynamics trajectories.☆34Nov 5, 2025Updated 11 months 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.
- Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges☆25May 21, 2026Updated 5 months ago
- Residue Interaction Network ResidUe Selector☆16Jul 21, 2026Updated 3 months ago
- TS2CG: Conversion of triangulated surfaces to (coarse grain) membrane models for molecular simulation☆31Apr 17, 2025Updated last year
- pytopicgram: A library for data extraction and topic modeling from Telegram channels☆12May 31, 2025Updated last year
- ☆12Jul 30, 2019Updated 7 years ago
- Benchmarks for OpenFF protein force fields☆11Updated this week
- Implementation of a simple task scheduler. It can run taks in parallel.☆14Dec 3, 2013Updated 12 years ago
- Create, use, and analyze machine learning potentials within the many-body expansion framework.☆10Sep 4, 2025Updated last year
- Data and scripts for comprehensive benchmark of conformer relative energies☆27Jul 9, 2020Updated 6 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.
- State-free (non)-reversible VAMPnets☆10Jan 10, 2023Updated 3 years ago
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆26Oct 26, 2026Updated last week
- Robust Equilibration Detection☆35Aug 6, 2026Updated 2 months ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 9 years ago
- PyMOL plugin to calculate accessible contact volumes on PDB structures☆13Mar 17, 2025Updated last year
- MDAnalysis wrapper around Packmol☆38May 1, 2023Updated 3 years ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆23Feb 2, 2024Updated 2 years ago