Geometric Byte Pair Encoding of Protein Structure (ICLR 2026)
☆35Mar 29, 2026Updated 5 months ago
Alternatives and similar repositories for GeoBPE
Users that are interested in GeoBPE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- BARTSmiles, generative masked language model for molecular representations☆35Jan 9, 2024Updated 2 years ago
- Foundation Molecular Grammar: Multi-Modal Foundation Models Induce Interpretable Molecular Graph Languages (ICML 2025) & Directed Graph G…☆22Nov 11, 2025Updated 10 months ago
- ☆39Nov 23, 2025Updated 9 months ago
- gpu implementation mopac☆16Updated this week
- Environment for developing substructure-aware protein models☆16Mar 26, 2026Updated 5 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆36May 15, 2026Updated 4 months ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 3 years ago
- Web-based dashboard for managing multiple Claude Code sessions across local and remote machines☆22Apr 7, 2026Updated 5 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆64Dec 16, 2025Updated 9 months ago
- ☆10Aug 5, 2022Updated 4 years ago
- A new python package to visualize molecules in dots hover☆13Feb 15, 2024Updated 2 years ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆55Aug 29, 2025Updated last year
- Official implementation of From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning?☆15Jun 19, 2026Updated 3 months ago
- ☆13Oct 19, 2023Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Metal and Water prediction☆16Feb 5, 2025Updated last year
- Official implementation of "Learning the language of protein structures"☆42Mar 18, 2026Updated 6 months ago
- Protein structure datasets for machine learning.☆116Apr 22, 2025Updated last year
- ☆13Feb 20, 2024Updated 2 years ago
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated 2 years ago
- Implementation of the BNPool layer and code to reproduce the experiments in "Bayesian Nonparametric GNNs for graph pooling and clustering…☆16Apr 1, 2026Updated 5 months ago
- TEINet: a deep learning framework for prediction of TCR-epitope binding specificity☆16Jun 30, 2023Updated 3 years ago
- ☆42Mar 26, 2025Updated last year
- Benchmarking framework for protein representation learning. Includes a large number of pre-training and downstream task datasets, models …☆279Apr 27, 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.
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆33Jul 28, 2026Updated last month
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated 2 years ago
- The Simple EMR System is a rapidly deployable and readily customizable electronic medical record (EMR) user interface for supporting labo…☆20Sep 4, 2026Updated 2 weeks ago
- ☆45Aug 1, 2025Updated last year
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆94May 17, 2025Updated last year
- The official implementation of the NeurIPS'23 paper ProteinInvBench: Benchmarking Protein Design on Diverse Tasks, Models, and Metrics☆206Sep 18, 2024Updated 2 years ago
- "One general law, leading to the advancement of all organic beings, namely, multiply, vary, let the strongest live and the weakest die." …☆19Nov 18, 2020Updated 5 years ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆158Updated this week
- ☆17Apr 22, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- random colab notebooks for biology☆26Aug 23, 2025Updated last year
- ☆25Jul 17, 2025Updated last year
- A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according …☆15Jul 13, 2022Updated 4 years ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆32Dec 18, 2023Updated 2 years ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆58Jul 22, 2025Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆247Sep 1, 2026Updated 2 weeks ago