Algorithm for identifying hydrogen bond networks in CG proteins to implement Go-like Martini 3 models
☆17Oct 25, 2024Updated last year
Alternatives and similar repositories for OLIVES
Users that are interested in OLIVES are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 3 years ago
- Coarse grain to atomistic molecular coordinate and topology converter☆16Mar 13, 2025Updated last year
- MDAnalysis tool to calculate membrane curvature.☆35Updated this week
- A python toolkit for analysing membrane protein-lipid interactions.☆71Mar 30, 2026Updated 4 months ago
- Martini 3 Building Blocks for Lipid Nanoparticle Design☆27Mar 18, 2026Updated 4 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.
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year
- Tutorial: Crystallization of silicon using enhanced sampling simulations☆20Mar 6, 2026Updated 5 months ago
- Community-contributed extensions to the Chemprop machine learning package☆21May 12, 2026Updated 2 months ago
- Build coarse-grained mapping for molecules from a web-GUI☆19Sep 10, 2021Updated 4 years ago
- ☆37Oct 14, 2024Updated last year
- ☆34Sep 23, 2023Updated 2 years ago
- ☆51Jun 17, 2026Updated last month
- Home of the public Martini 3 lipid parameters☆28Sep 29, 2025Updated 10 months ago
- Automatic Martini force field generator for small organic molecules (up to 25 heavy atoms), Martini 3 compatible☆40Jul 17, 2026Updated 3 weeks 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.
- Collection of Python scripts to setup and run simulations with OpenMM☆17May 22, 2020Updated 6 years ago
- ☆18Jan 15, 2026Updated 6 months ago
- COBY (Coarse Grained System Builder) can be used to create coarse-grained systems in Martini 3☆49May 22, 2026Updated 2 months ago
- ☆17Sep 26, 2025Updated 10 months ago
- Enzyme kinetics data extraction pipeline☆17Jul 17, 2026Updated 3 weeks ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆37Jul 17, 2024Updated 2 years ago
- Generate coarse-grained molecular dynamics models from atomistic trajectories.☆68Aug 2, 2026Updated last week
- Code for the paper "Learning to engineer protein flexibility".☆22Mar 24, 2026Updated 4 months ago
- Automatic MARTINI parametrization of small organic molecules☆76May 28, 2025Updated last year
- 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.
- A simple app to generate a predictive ML model from any ChEMBL target via UniprotID☆18Apr 24, 2026Updated 3 months ago
- MM/PBSA binding free energy calculation☆22May 31, 2024Updated 2 years ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆41Jun 19, 2026Updated last month
- Convert coarse-grained protein structure to all-atom model☆62Jun 7, 2025Updated last year
- Javascript Reaction Editor and Cheminformatics Library☆14Jun 13, 2011Updated 15 years ago
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- Poltype 2: Automated Parameterization for AMOEBA☆51Aug 4, 2026Updated last week
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆98Nov 5, 2025Updated 9 months ago
- ☆13May 9, 2025Updated last year
- 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.
- Molecular Dynamics on Google Compute Engine, Colab, AWS (Amazon Web Services) and other Cloud Computing services☆26Oct 18, 2025Updated 9 months ago
- Structure prediction of alternative protein conformations☆86Feb 24, 2025Updated last year
- Ligand-Protein Interaction Mapping☆81Updated this week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆102Updated this week
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated 2 years ago
- Biasing Conformational Sampling in AlphaFold 3 and Boltz-2 via Pair Representation Scaling☆29Jul 6, 2026Updated last month
- Enhanced sampling methods for molecular dynamics simulations☆46Dec 16, 2022Updated 3 years ago