Subset of AmberTools, with updates and modifications
☆25Nov 3, 2026Updated this week
Alternatives and similar repositories for AmberClassic
Users that are interested in AmberClassic are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 8 years ago
- Helper function for Markov State Models☆11Jun 25, 2024Updated 2 years ago
- Tutorials for non-Markovian dynamic models (qMSM and IGME) to study protein dynamics.☆27Aug 15, 2024Updated 2 years ago
- MD simulation trajectory visualization tool☆10Dec 23, 2023Updated 2 years ago
- A stripped-down set of just antechamber, sqm, and tleap.☆34Sep 20, 2021Updated 5 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Quantum to Molecular Mechanics (Q2MM)☆25Sep 4, 2026Updated 2 months ago
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆19Jun 6, 2023Updated 3 years ago
- Residue-level analysis of HDX-MS☆12Sep 17, 2025Updated last year
- Repository for training, evaluating and using synthesis prediction models☆20Aug 13, 2025Updated last year
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆18Aug 24, 2025Updated last year
- Compare molecular structures after energy minimization in various force fields.☆11Aug 22, 2020Updated 6 years ago
- Automatically exported from code.google.com/p/acpype☆12May 11, 2015Updated 11 years ago
- ☆10Jul 3, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆15Apr 7, 2022Updated 4 years ago
- Sort & Slice: A Simple and Superior Alternative to Hash-Based Folding for Extended-Connectivity Fingerprints (ECFPs)☆10Feb 13, 2025Updated last year
- Biomolecular simulation trajectory/data analysis.☆171Oct 23, 2026Updated last week
- Repository of computational biochemistry protocols for the Amber package☆12Oct 4, 2024Updated 2 years ago
- ☆13Updated this week
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Nov 24, 2020Updated 5 years ago
- A Unified Framework for Predicting, Designing, and Scoring Biomolecular Interactions☆84Oct 11, 2026Updated 3 weeks ago
- Grace (xmgrace) plotting tool☆14May 25, 2017Updated 9 years ago
- Cyclic DNA Sequence Aligner☆11Apr 15, 2020Updated 6 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Statistical models for biomolecular dynamics☆45May 8, 2025Updated last year
- Tutorial Files☆14Sep 13, 2025Updated last year
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- ✏️ A web app for visualising hypotrochoids and epitrochoids.☆18Jul 26, 2026Updated 3 months ago
- Zinc Database Downloader & Merger☆16Mar 29, 2025Updated last year
- ☆33Feb 25, 2024Updated 2 years ago
- A manually curated lists of software, publications and other resources related to the analysis of HDX-MS data.☆13Dec 15, 2025Updated 10 months ago
- Public repository to reproduce results☆12Aug 3, 2026Updated 3 months ago
- easyPARM is a computational tool developed to simplify the derivation of force field parameters for metal-containing molecular systems an…☆48May 21, 2026Updated 5 months 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.
- Generating dynamic structures through physics-based sampling of trRosettaX2-predicted inter-residue geometries☆11Mar 17, 2026Updated 7 months ago
- ☆11Aug 4, 2022Updated 4 years ago
- Interpretable, protein structure-based prediction of missense variant deleteriousness.☆23Aug 6, 2025Updated last year
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated 2 years ago
- Ligand force matching☆12Dec 4, 2025Updated 11 months ago
- BMRB data visualization tools using python Plotly☆15Aug 21, 2025Updated last year
- Deep Neural Networks for Analysing NMR time domain data☆14Aug 4, 2026Updated 3 months ago