Modeling with limited data
☆66Dec 15, 2025Updated 9 months ago
Alternatives and similar repositories for meld
Users that are interested in meld are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble…☆21Apr 17, 2023Updated 3 years ago
- Repository for MD methods and analysis from submitted or published work☆20Jun 10, 2023Updated 3 years ago
- Bayesian inference of conformational populations☆14Jun 11, 2025Updated last year
- WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis☆220Updated this week
- High Information Mapper (HiMap), successor of the Lead Optimization Mapper (LOMAP)☆17May 3, 2023Updated 3 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.
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Tinker-GPU: Next Generation of Tinker with GPU Support☆57Updated this week
- Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B J. Chem. Theory Comput. 2021, 17, 3134. (https://pubs.acs.org/d…☆11Jun 16, 2022Updated 4 years ago
- BioEn - Bayesian Inference Of ENsembles☆25Feb 6, 2024Updated 2 years ago
- Differentiable molecular simulation of proteins with a coarse-grained potential☆56Apr 3, 2025Updated last year
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆103Aug 10, 2026Updated 2 months ago
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 6 months ago
- ☆13Oct 3, 2017Updated 9 years ago
- LOOS: a lightweight object-oriented structure analysis library☆130Jul 9, 2026Updated 3 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.
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆47May 3, 2021Updated 5 years ago
- ☆35Mar 2, 2026Updated 7 months ago
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆174Aug 18, 2026Updated last month
- Convert coarse-grained protein structure to all-atom model☆62Jun 7, 2025Updated last year
- A simple implementation of replica exchange MD simulations for OpenMM.☆27Jul 19, 2021Updated 5 years ago
- ☆22Oct 3, 2026Updated last week
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆36Sep 13, 2023Updated 3 years ago
- Physical validation of molecular simulations☆66Jul 6, 2026Updated 3 months ago
- OpenMM plugin to interface with PLUMED☆82Aug 31, 2026Updated last month
- 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.
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Jul 10, 2026Updated 2 months ago
- OpenMM is a toolkit for molecular simulation using high performance GPU code.☆1,993Updated this week
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆342Updated this week
- Collection of Python scripts to setup and run simulations with OpenMM☆17May 22, 2020Updated 6 years ago
- pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of str…☆28Aug 20, 2020Updated 6 years ago
- IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook☆43Feb 14, 2019Updated 7 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆15Jul 14, 2026Updated 2 months ago
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆417Sep 28, 2026Updated last week
- Standalone charge assignment from Espaloma framework.☆49Oct 10, 2025Updated 11 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Examples for use of YANK - getyank.org☆12Sep 20, 2021Updated 5 years ago
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆59Apr 21, 2025Updated last year
- OpenMM scripts for polarisable molecular dynamics with the AMOEBA force field☆29May 2, 2020Updated 6 years ago
- An open tool implementing some recommended practices for analyzing alchemical free energy calculations☆140May 24, 2024Updated 2 years ago
- Force Field X - Software for Molecular Biophysics☆26Updated this week
- GPU accelerating computing for Bayesian inference of electron microscopy images. BioEM is a publicly available software that enables the …☆13Apr 7, 2023Updated 3 years ago
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆12Feb 22, 2024Updated 2 years ago