☆61Jul 10, 2025Updated 11 months ago
Alternatives and similar repositories for qforce
Users that are interested in qforce are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OpenMM plugin for simulating electrochemical systems☆22Sep 23, 2024Updated last year
- Molecular simulation toolkit☆20Updated this week
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆108Jul 5, 2024Updated last year
- Automated tools for submitting molecules to QCFractal☆26Updated this week
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆15Jun 23, 2020Updated 5 years ago
- Systematic force field optimization.☆164Updated this week
- the simple alchemistry library☆239Jun 1, 2026Updated last week
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆93Jun 2, 2026Updated last week
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆59May 3, 2024Updated 2 years ago
- Fragment molecules for quantum mechanics torsion scans☆48Updated this week
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 3 years ago
- A Framework for Database Accelerated Quantum Chemistry☆11Jul 30, 2024Updated last year
- a unified interface for molecular harmonic vibrational frequency calculations☆33May 15, 2026Updated 3 weeks 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.
- Martini 3 small molecule database☆73May 13, 2026Updated 3 weeks ago
- Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-…☆49Aug 19, 2024Updated last year
- An open source Python framework for transition interface and path sampling calculations.☆116May 20, 2026Updated 3 weeks ago
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆78Jun 3, 2026Updated last week
- Molecular kaleidoscope☆15Apr 11, 2018Updated 8 years ago
- ☆12Jan 1, 2019Updated 7 years ago
- ☆14Sep 14, 2025Updated 8 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆394Jun 2, 2026Updated last week
- An automated framework for generating optimized partial charges for molecules☆39Updated this week
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆305Feb 12, 2026Updated 3 months ago
- Python API for the extended tight binding program package☆128Sep 3, 2024Updated last year
- Quantum Chemistry Teaching Labs and Exercises☆11Aug 16, 2022Updated 3 years ago
- ☆49Updated this week
- High level API for using machine learning models in OpenMM simulations☆171May 27, 2026Updated 2 weeks ago
- Data generation and submission scripts for the QCArchive ecosystem.☆36Updated this week
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆59Jun 1, 2026Updated last week
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Oct 8, 2025Updated 8 months ago
- ☆65Dec 10, 2025Updated 6 months 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.
- Endstate corrections from MM to QML potential☆14Feb 28, 2024Updated 2 years ago
- Geometry optimization code that includes the TRIC coordinate system☆213May 18, 2026Updated 3 weeks ago
- Optimization of OpenFF parameters using ForceBalance and QCArchive☆12Jul 26, 2021Updated 4 years ago
- Genetic Algorithm (GA) program for optimizing the parameters of a polarizable force field based on the AMOEBA functional form☆13Jul 27, 2018Updated 7 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12May 27, 2026Updated 2 weeks ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Jul 10, 2022Updated 3 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Jun 3, 2026Updated last week