Tinker: Software Tools for Molecular Design
☆164Oct 24, 2026Updated this week
Alternatives and similar repositories for tinker
Users that are interested in tinker are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tinker-GPU: Next Generation of Tinker with GPU Support☆57Updated this week
- Tinker-HP: High-Performance Massively Parallel Tinker for CPUs & GPUs☆103Oct 23, 2026Updated last week
- Poltype 2: Automated Parameterization for AMOEBA☆51Oct 23, 2026Updated last week
- Parameter/topology editor and molecular simulator☆457Oct 21, 2026Updated last week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆382Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- the simple alchemistry library☆248Jun 1, 2026Updated 4 months ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆2,021Updated this week
- DFTB+ general package for performing fast atomistic simulations☆440Oct 22, 2026Updated last week
- Tinker-FFE: Molecular Engineering GUI for Tinker☆11Feb 4, 2026Updated 8 months ago
- Quantum chemistry program executor and IO standardizer (QCSchema).☆211Oct 16, 2026Updated 2 weeks ago
- An application for configuring and running simulations with OpenMM☆84Oct 30, 2025Updated last year
- TinkerModellor: An Efficient Tool for Building Biological Systems in Tinker Simulations☆12Oct 24, 2025Updated last year
- Systematic force field optimization.☆167Sep 25, 2026Updated last month
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆103Jul 24, 2021Updated 5 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.
- Packmol - Initial configurations for molecular dynamics simulations☆383May 27, 2026Updated 5 months ago
- Molecular structure optimizer☆134Jul 18, 2026Updated 3 months ago
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆282Apr 16, 2026Updated 6 months ago
- Multipurpose ab initio MD program.☆15Sep 3, 2026Updated last month
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆418Updated this week
- Development version of plumed 2☆524Updated this week
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,234Updated this week
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆203Oct 21, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆319Feb 12, 2026Updated 8 months ago
- Experiments with expanded ensembles to explore chemical space☆204Oct 28, 2025Updated last year
- gpu implementation mopac☆16Updated this week
- An open library for the analysis of molecular dynamics trajectories☆741Updated this week
- Conversion tool for molecular simulations☆231Jan 22, 2026Updated 9 months ago
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆324Nov 17, 2025Updated 11 months ago
- Parsers and algorithms for computational chemistry logfiles☆432Updated this week
- Geometry optimization code that includes the TRIC coordinate system☆230Jul 19, 2026Updated 3 months ago
- Python interface for Q-Chem☆24Oct 20, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆222Oct 13, 2026Updated 2 weeks ago
- MoleculeKit: Your favorite molecule manipulation kit☆250Updated this week
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆109Feb 11, 2025Updated last year
- Molecular Orbital PACkage☆186Aug 10, 2026Updated 2 months ago
- Testing out GCNN for charge prediction☆12Nov 27, 2025Updated 11 months ago
- NWChem: Open Source High-Performance Computational Chemistry☆627Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆342Updated this week