Code for InstructBioMol, implementing the Nature Machine Intelligence paper "Advancing Biomolecular Understanding and Design Following Human Instructions".
☆33Aug 2, 2025Updated last year
Alternatives and similar repositories for InstructBioMol
Users that are interested in InstructBioMol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The official repo for the paper "RetroDFM-R: Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Lear…☆23Updated this week
- ☆47Apr 1, 2026Updated 4 months ago
- Code and Data for the paper: Graph Sampling-based Meta-Learning for Molecular Property Prediction [IJCAI2023]☆20Jun 29, 2023Updated 3 years ago
- ☆34Apr 23, 2026Updated 4 months ago
- ICLR 2025: We propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES …☆20Feb 24, 2025Updated last year
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- ☆13Jan 25, 2026Updated 7 months ago
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆141Mar 18, 2024Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆33Sep 30, 2025Updated 11 months ago
- ☆10Jun 10, 2024Updated 2 years ago
- ☆44Sep 24, 2025Updated 11 months ago
- Structural optimization of drug molecules by generative deep learning.☆16Apr 9, 2026Updated 4 months ago
- A universal structure-directed lead optimization☆79Jan 30, 2026Updated 7 months ago
- ☆12Feb 19, 2023Updated 3 years ago
- ☆30Sep 9, 2025Updated 11 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆44Apr 2, 2025Updated last year
- ☆15Apr 8, 2026Updated 4 months ago
- A Fast, Simplified Model for Molecular Generation with Improved Physical Quality☆28Oct 1, 2025Updated 10 months ago
- A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)☆111Jan 11, 2025Updated last year
- The official repository for "Multi-channel learning for integrating structural hierarchies into context-dependent molecular representatio…☆15Feb 25, 2025Updated last year
- AI for Chemical Spectra☆18Updated this week
- SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction☆17Feb 17, 2025Updated last year
- ☆25Apr 3, 2025Updated last year
- ☆38Feb 5, 2026Updated 6 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- A collection of resources related with Knowledge-augmented Graph Machine Learning for Drug Discovery.☆25Jun 28, 2024Updated 2 years ago
- Implementation for Flexible MOF Generation with Torsion-Aware Flow Matching☆18Feb 13, 2026Updated 6 months ago
- ☆19Apr 15, 2022Updated 4 years ago
- Prot2Text-V2: Protein Function Prediction with Multimodal Contrastive Alignment☆49Oct 23, 2025Updated 10 months ago
- Text-guided protein design☆96Jul 21, 2026Updated last month
- This is the official implementation of the paper: Fractional Denoising for 3D Molecular Pre-training☆22Mar 30, 2024Updated 2 years ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 7 months ago
- Code and data for the ACL2024 paper "InstructProtein: Aligning Human and Protein Language via Knowledge Instruction".☆24Aug 28, 2024Updated 2 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Contrastive learning harmonizing protein language models and natural language models☆44Jun 12, 2024Updated 2 years ago
- SciToolAgent: A Knowledge Graph-Driven Scientific Agent for Multi-Tool Integration☆422Aug 26, 2025Updated last year
- ☆23Mar 2, 2025Updated last year
- ☆43Apr 21, 2022Updated 4 years ago
- Predictive Chemistry Augmented with Text Retrieval☆27Feb 20, 2024Updated 2 years ago
- ☆20Jul 17, 2025Updated last year
- Codebase for NaFM: Pre-training a Foundation Model for Small-Molecule Natural Products☆27May 10, 2026Updated 3 months ago