psp3dcg / LightRoseTTAView external linksLinks
The official pytorch implementation of "LightRoseTTA: High-efficient and Accurate Protein Structure Prediction Using an Ultra-Lightweight Deep Graph Model"
☆15Apr 13, 2025Updated 10 months ago
Alternatives and similar repositories for LightRoseTTA
Users that are interested in LightRoseTTA are comparing it to the libraries listed below
Sorting:
- This is an official implementation for "MMSite: A Multi-modal Framework for the Identification of Active Sites in Proteins".☆17Jan 4, 2025Updated last year
- MEGADOCK on Google Colaboratory☆20Oct 2, 2023Updated 2 years ago
- PyTorch Implementation of CLEAN-Contact: Contrastive Learning-enabled Enzyme Functional Annotation Prediction with Structural Inference☆11May 29, 2024Updated last year
- ☆15Apr 30, 2025Updated 9 months ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- Complete saturation mutagenesis of a protein using ESM☆16Feb 20, 2024Updated last year
- ☆20Aug 25, 2025Updated 5 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Oct 22, 2023Updated 2 years ago
- Official code release for Ambient Protein Diffusion☆31Aug 30, 2025Updated 5 months ago
- A fast sampling and analysis tool for biomolecules☆16Jan 20, 2025Updated last year
- ☆19Jul 18, 2024Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆108Jan 28, 2026Updated 2 weeks ago
- LMetalSite: alignment-free metal ion-binding site prediction from protein sequence through pretrained language model and multi-task learn…☆19Oct 23, 2025Updated 3 months ago
- [Nature Machine Intelligence] ImmunoStruct enables multimodal deep learning for immunogenicity prediction☆34Updated this week
- Protein language models-assisted optimization of a uracil-N-glycosylase variant enables programmable T-to-G and T-to-C base editing☆18Jun 6, 2024Updated last year
- GUI for Boltz☆32Jun 11, 2025Updated 8 months ago
- ☆22Apr 20, 2025Updated 9 months ago
- mdml: Deep Learning for Molecular Simulations☆50May 17, 2025Updated 8 months ago
- Fine-tuning Boltz-1 for domain knowledge adaption☆27Apr 29, 2025Updated 9 months ago
- Use AutoDock for Ligand-based Virtual Screening☆22Aug 18, 2024Updated last year
- Deep learning tools for peptide substrate prediction and generation☆36Nov 20, 2025Updated 2 months ago
- ☆20Jul 16, 2025Updated 6 months ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆21May 19, 2022Updated 3 years ago
- Score-based 3D molecule generation with neural fields - NeurIPS 2024☆28Dec 3, 2024Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆28Mar 20, 2025Updated 10 months ago
- Several QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.☆24Oct 18, 2019Updated 6 years ago
- A benchmark for 3D biomolecular structure prediction models☆69May 11, 2025Updated 9 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆34Nov 18, 2023Updated 2 years ago
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆48Nov 12, 2025Updated 3 months ago
- ☆61Apr 9, 2024Updated last year
- Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models☆75Sep 12, 2024Updated last year
- Python package and routines for merging VCF files☆29Apr 1, 2021Updated 4 years ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆75Oct 15, 2025Updated 3 months ago
- PDBench is a dataset and software package for evaluating fixed-backbone sequence design algorithms.☆32Jan 17, 2023Updated 3 years ago
- ☆10Mar 6, 2025Updated 11 months ago
- Tools for crop simulations with Aquacrop V6☆11Dec 2, 2022Updated 3 years ago
- ☆42Nov 29, 2025Updated 2 months ago
- ☆33Sep 19, 2025Updated 4 months ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆234Jul 24, 2025Updated 6 months ago