Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Human Instructions".
☆31Aug 2, 2025Updated 7 months ago
Alternatives and similar repositories for InstructBioMol
Users that are interested in InstructBioMol are comparing it to the libraries listed below
Sorting:
- RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning☆20Nov 22, 2025Updated 4 months ago
- ☆12Jan 25, 2026Updated last month
- ☆16Jan 19, 2026Updated 2 months ago
- ☆22Mar 2, 2025Updated last year
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆19Jun 29, 2023Updated 2 years ago
- AI for Chemical Spectra☆16Dec 24, 2025Updated 2 months ago
- ☆40Sep 24, 2025Updated 5 months ago
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆137Mar 18, 2024Updated 2 years ago
- ☆26Sep 9, 2025Updated 6 months ago
- This is the official implementation of the paper: Fractional Denoising for 3D Molecular Pre-training☆22Mar 30, 2024Updated last year
- Code and data for the ACL2024 paper "InstructProtein: Aligning Human and Protein Language via Knowledge Instruction".☆23Aug 28, 2024Updated last year
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated 2 weeks ago
- Predictive Chemistry Augmented with Text Retrieval☆25Feb 20, 2024Updated 2 years ago
- ☆37Feb 5, 2026Updated last month
- Learning to Group Auxiliary Datasets for Molecule, NeurIPS2023☆18Dec 19, 2023Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆30Sep 30, 2025Updated 5 months ago
- Prot2Text-V2: Protein Function Prediction with Multimodal Contrastive Alignment☆41Oct 23, 2025Updated 4 months ago
- Pytorch version of Continuous Language Generative Flow (ACL 2021)☆11Sep 14, 2021Updated 4 years ago
- Differential Evolution Algorithm which uses Non-dominated Sorting for Multi-Objective Optimization☆10Mar 11, 2020Updated 6 years ago
- Official repository for "Construction of Hierarchical Neural Architecture Search Spaces based on Context-free Grammars" (NeurIPS 2023)☆17Oct 26, 2023Updated 2 years ago
- Generative modeling of molecular dynamics trajectories☆205Nov 23, 2025Updated 3 months ago
- Flexibility-conditioned protein structure design☆32Mar 10, 2026Updated last week
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Apr 2, 2025Updated 11 months ago
- ☆12May 12, 2025Updated 10 months ago
- Rapid structure-based virtual screening for RNA targets.☆28Mar 6, 2026Updated 2 weeks ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆33Mar 24, 2025Updated 11 months ago
- The official code of "Beyond Walking: A Large-Scale Image-Text Benchmark for Text-based Person Anomaly Search"☆27Sep 15, 2025Updated 6 months ago
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆46Jul 4, 2024Updated last year
- Official code release for Ambient Protein Diffusion☆32Aug 30, 2025Updated 6 months ago
- Using Rotamer Interaction Fields from RIFGen/Dock in python☆17May 2, 2021Updated 4 years ago
- Counterfactual generation of tumor perturbations from multiplexed tissue images☆23May 13, 2025Updated 10 months ago
- Pytorch implementation of "Very Deep Graph Neural Networks via Noise Regularisation"☆10Aug 22, 2021Updated 4 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Jul 27, 2023Updated 2 years ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆102Jan 11, 2025Updated last year
- Source code for the paper 'Uncovering Neural Scaling Laws in Molecular Representation Learning' (NeurIPS 2023 Datasets and Benchmarks).☆14Dec 2, 2023Updated 2 years ago
- This is the repository for the NeurIPS-21 paper [Contrastive Graph Poisson Networks: Semi-Supervised Learning with Extremely Limited Labe…☆12Feb 28, 2023Updated 3 years ago
- ☆11Aug 2, 2023Updated 2 years ago
- AbEpiTope-1.0 is a computational tool that features two scores: AbEpiScore-1.0, designed for assessing the accuracy of modelled AbAg inte…☆30Oct 5, 2025Updated 5 months ago