The-Institute-for-AI-Molecular-Design / ODesign-pipelineView external linksLinks
design pipeline for protein, nucleic acid, and small molecule
☆40Updated this week
Alternatives and similar repositories for ODesign-pipeline
Users that are interested in ODesign-pipeline are comparing it to the libraries listed below
Sorting:
- Official repository of "Multi-level Interaction Modeling for Protein Mutational Effect Prediction"☆10Jun 30, 2024Updated last year
- Official repository of "ODesign: A World Model for Biomolecular Interaction Design"☆251Feb 2, 2026Updated 2 weeks ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆22Jun 3, 2025Updated 8 months ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 5 years ago
- Converts AlphaFold distograms into distance matrices and saves them into a number of formats☆14Dec 13, 2022Updated 3 years ago
- Official implementation of CP-Composer. It is the released code of 《Zero-Shot Cyclic Peptide Design via Composable Geometric Constraints》…☆23Aug 6, 2025Updated 6 months ago
- Different run and analysis scripts as described in the research guides.☆13Jul 5, 2022Updated 3 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆15Jan 24, 2026Updated 3 weeks ago
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆40Jun 6, 2025Updated 8 months ago
- Collection of papers for Molecular Representation using AI☆33Nov 16, 2025Updated 3 months ago
- ☆17Mar 18, 2023Updated 2 years ago
- AIMNet2: Fast, accurate and transferable neural network interatomic potential☆18Oct 17, 2024Updated last year
- Pocket dynamics analysis tool☆17May 8, 2025Updated 9 months ago
- ☆20May 28, 2025Updated 8 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 4 months ago
- Official repository of ReactZyme☆40Oct 12, 2024Updated last year
- An official implementation of "Directed Chemical Evolution via Navigating Molecular Encoding Space.", which is a foundational model to br…☆25Feb 3, 2026Updated 2 weeks ago
- ☆21Feb 25, 2025Updated 11 months ago
- de novo design of high affinity biological binders☆124Feb 10, 2026Updated last week
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆55Feb 10, 2026Updated last week
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆20Mar 26, 2024Updated last year
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Jan 8, 2025Updated last year
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆57Dec 16, 2025Updated 2 months ago
- Versatile Molecular Editing via Multimodal and Group-optimized Generative Learning☆24May 22, 2025Updated 8 months ago
- This is the GitHub repository accompanying Krishnan, Anahtar, Valeri, et al., 2025☆36Jun 8, 2025Updated 8 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆53Sep 6, 2024Updated last year
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆26Jul 16, 2024Updated last year
- Synthesis-oriented GFlowNets on a large action space: "Generative Flows on Synthetic Pathway for Drug Design" (ICLR 2025)☆31Oct 23, 2025Updated 3 months ago
- A Light-Weight And Interpretable Molecular Docking Model☆25Oct 23, 2024Updated last year
- ☆24Jul 5, 2023Updated 2 years ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆25Nov 21, 2022Updated 3 years ago
- my own studied materials and scripts☆59Jan 20, 2026Updated 3 weeks ago
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆27Sep 12, 2023Updated 2 years ago
- Computational Chemistry☆26Jul 11, 2025Updated 7 months ago
- Code for humanization of antibody and nanobody☆74Aug 28, 2025Updated 5 months ago
- ☆15Nov 11, 2025Updated 3 months ago
- Generate intrinsically disordered peptide conformations via machine learning☆24May 26, 2024Updated last year
- Plausibility checks for generated molecule poses.☆355Feb 9, 2026Updated last week
- Baseline model for PPB-Affinity benchmark data☆34May 21, 2025Updated 8 months ago