Tinker: Software Tools for Molecular Design
☆163Apr 20, 2026Updated 3 weeks ago
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☆58May 2, 2026Updated 2 weeks ago
- Tinker-HP: High-Performance Massively Parallel Tinker for CPUs & GPUs☆100Jan 26, 2026Updated 3 months ago
- Parameter/topology editor and molecular simulator☆451Apr 9, 2026Updated last month
- Poltype 2: Automated Parameterization for AMOEBA☆52May 13, 2026Updated last week
- Quantum chemistry program executor and IO standardizer (QCSchema).☆203May 5, 2026Updated 2 weeks 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.
- Tinker-FFE: Molecular Engineering GUI for Tinker☆11Feb 4, 2026Updated 3 months ago
- DFTB+ general package for performing fast atomistic simulations☆426Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆368Apr 27, 2026Updated 3 weeks ago
- the simple alchemistry library☆238Jan 23, 2026Updated 3 months ago
- An application for configuring and running simulations with OpenMM☆81Oct 30, 2025Updated 6 months ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,890May 8, 2026Updated last week
- Python interface for Q-Chem☆24Apr 27, 2026Updated 3 weeks ago
- Contributed and additional nodes for maize☆22Feb 18, 2026Updated 3 months ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆189Apr 29, 2026Updated 2 weeks 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.
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆101Jul 24, 2021Updated 4 years ago
- Python interface of cpptraj☆191Mar 6, 2026Updated 2 months ago
- Packmol - Initial configurations for molecular dynamics simulations☆355Mar 30, 2026Updated last month
- Package for consistent reporting of relative free energy results☆42May 12, 2026Updated last week
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆101Feb 11, 2025Updated last year
- Experimental and calculated small molecule hydration free energies☆140Apr 3, 2026Updated last month
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆77May 13, 2026Updated last week
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆270Apr 16, 2026Updated last month
- 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.
- IQmol is an open source molecular editor and visualization package☆108Dec 15, 2022Updated 3 years ago
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆323Jan 7, 2026Updated 4 months ago
- helPME: an efficient library for particle mesh Ewald☆31Feb 28, 2022Updated 4 years ago
- Molecular structure optimizer☆130Updated this week
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆392Updated this week
- Development version of plumed 2☆498May 13, 2026Updated last week
- Geometry optimization code that includes the TRIC coordinate system☆211Apr 20, 2026Updated 3 weeks ago
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆216Updated this week
- Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.☆15Jul 19, 2021Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- OpenMM plugin to interface with PLUMED☆78Jan 15, 2026Updated 4 months ago
- QUICK: A GPU-enabled ab intio quantum chemistry software package☆206Apr 30, 2026Updated 2 weeks ago
- For advanced physics-driven combined with neural network enhancement force field.☆18Mar 9, 2026Updated 2 months ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆202Jul 6, 2023Updated 2 years ago
- Force-field-enhanced Neural Networks optimized library☆87May 7, 2026Updated last week
- Open Source, Prepare a molecular dynamic simulation from scratch without installing local VMD, use LigParGen for topology, it is one of t…☆13Jul 3, 2023Updated 2 years ago
- Notebooks demonstrating how to do simple tasks related to free energy calculations.☆66May 7, 2026Updated last week