Code for optimizing the GōMartini force field to reproduce atomistic ensembles using a perturbation based approach
☆15Oct 26, 2025Updated last year
Alternatives and similar repositories for pogo
Users that are interested in pogo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MDDG is a lightweight Python code that allows MD trajectories to be visualised in terms of disconnectivity graphs.☆12Jul 23, 2026Updated 3 months ago
- Linux and MacOS codes to simulate protein transition pathways with eBDIMS2☆13Sep 26, 2026Updated last month
- Alchemical Free Energy Calculations with Grand Canonical Ensemble☆23May 2, 2026Updated 5 months ago
- A PyQt5-based interactive tool for aligning and visualizing molecular analogs with customizable highlighting, transformations, and high-r…☆13Apr 29, 2026Updated 6 months ago
- protein domain-level embedding via DCT for similarity search☆10Oct 3, 2024Updated 2 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.
- Robust machine learning interatomic potentials (MLIPs) that achieve accuracy comparable to the ωB97X-D3BJ/def2-TZVPP quantum mechanical m…☆11Jun 9, 2026Updated 4 months ago
- An implementation of the CSMILES conformer line input system.☆14Jul 11, 2025Updated last year
- Predicting water moelcule placements on protein surfaces using flow matching conditioned on learned protein structure embeddings.☆17Sep 17, 2026Updated last month
- GPU accelerated free-energy perturbation engine☆14Updated this week
- ☆19Aug 18, 2026Updated 2 months ago
- Code for Branched Schrödinger Bridge Matching (ICLR 2026)☆20Mar 20, 2026Updated 7 months ago
- ☆52Jun 15, 2026Updated 4 months ago
- ☆11Oct 31, 2020Updated 5 years ago
- ☆10Jul 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.
- PocketMaster is a flexible and automated tool for analyzing, clustering, and visualizing protein binding sites. It allows you to quickly …☆19Feb 22, 2026Updated 8 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- 3D ontology visualizer for macOS with QuickLook preview (OWL/RDF/TTL/TRIG)☆17Jun 16, 2026Updated 4 months ago
- Well-trained models and generative outcomes for the paper "Benchmarking Study of Deep Generative Models for Inverse Polymer Design"☆12Aug 8, 2025Updated last year
- Python package for finding coexisting phases in multicomponent mixtures.☆12Oct 19, 2026Updated last week
- ☆19May 21, 2026Updated 5 months ago
- Cryo-EM data viewer in napari☆14Dec 1, 2020Updated 5 years ago
- A domain specific language for creating scientific pipelines☆14Updated this week
- One protein is all you need (ICLR 2026)☆117Aug 1, 2026Updated 2 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.
- Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.☆16Dec 20, 2022Updated 3 years ago
- DeepTM: A deep learning setup for prediction of transmembrane proteins☆19Jan 2, 2018Updated 8 years ago
- Prepare topology and coordinate file for CG models in Genesis.☆13Updated this week
- A Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragmen…☆25Mar 25, 2026Updated 7 months ago
- An open service to classify diffraction patterns☆12May 19, 2022Updated 4 years ago
- GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications☆14Sep 24, 2022Updated 4 years ago
- A tool for 2D protein visualization aimed at improving the comparability of protein structures through standardized 2D visualizations.☆23Mar 13, 2026Updated 7 months ago
- ☆21Dec 5, 2024Updated last year
- Official implementation of RuSH (Scaffold Hopping with Generative Reinforcement Learning). Includes ScaffoldFinder algorithm for 2D decor…☆24Feb 20, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆183Jul 28, 2026Updated 3 months ago
- repository of notebooks for cryoEM☆14Mar 12, 2020Updated 6 years ago
- Package for analyzing RNA crosslinking and proximity ligation data (PARIS and beyond)☆13Mar 7, 2024Updated 2 years ago
- Conversion of coarsegrain to atomistic (complete rewrite of the original CG2AT)☆39Oct 19, 2026Updated last week
- ☆10Aug 28, 2024Updated 2 years ago
- BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding https://www.biorxiv.org/content/10.1101/2024.10.28.6…☆23Nov 24, 2025Updated 11 months ago
- Identifying amino acids important to AlphaFold!☆11Oct 20, 2026Updated last week