[ACL 2026] A collection of AWESOME things about LLM-Centric-Molecular-Discovery
☆27Sep 7, 2026Updated last month
Alternatives and similar repositories for Awesome-LLM-Centric-Molecular-Discovery
Users that are interested in Awesome-LLM-Centric-Molecular-Discovery are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- When you face some problem in drug discovery, just delete☆13Aug 3, 2024Updated 2 years ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆23Jan 28, 2024Updated 2 years ago
- Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with Mo…☆40Sep 22, 2026Updated 3 weeks ago
- Token-Mol 1.0:tokenized drug design with large language model☆67Jun 1, 2026Updated 4 months ago
- ☆17Feb 27, 2026Updated 7 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆24Aug 9, 2026Updated 2 months ago
- Official repo for PlanViz: Evaluating Planning-Oriented Image Generation and Editing for Computer-Use Tasks☆17Oct 11, 2026Updated last week
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 9 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆35Sep 30, 2025Updated last year
- ☆49Jun 4, 2026Updated 4 months ago
- ☆35Jul 9, 2025Updated last year
- ☆24Jan 16, 2026Updated 9 months ago
- NP-KG: Knowledge Graph Framework for Natural Product-Drug Interactions☆20Jun 25, 2024Updated 2 years ago
- Official implementation of "FragFM: Hierarchical Framework for Efficient Molecule Generation via Fragment-Level Discrete Flow Matching" (…☆22Apr 24, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison☆31Jul 30, 2026Updated 2 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- [Nature Communications] A foundation model for drug synergy analysis☆16Nov 17, 2025Updated 11 months ago
- ☆20Nov 19, 2024Updated last year
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated last year
- ☆54May 24, 2024Updated 2 years ago
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆20Mar 4, 2025Updated last year
- ☆41Jun 30, 2024Updated 2 years ago
- Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.☆38Sep 3, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆46Jun 20, 2025Updated last year
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆13Dec 27, 2023Updated 2 years ago
- Official Implementation (Pytorch) of the "LLaMo: Large Language Model-based Molecular Graph Assistant", NeurIPS 2024☆38Feb 12, 2025Updated last year
- LLM Reasoning Benchmark & Chain-of-Thoughts Dataset for Chemistry☆58Oct 9, 2025Updated last year
- Organ Bath Pharmacology Simulation☆10Dec 16, 2024Updated last year
- ☆31Apr 3, 2025Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- ☆24Mar 25, 2025Updated last year
- ☆40Jun 9, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆30Dec 2, 2025Updated 10 months ago
- [ACL 2024] ProtLLM: An Interleaved Protein-Language LLM with Protein-as-Word Pre-Training☆51Mar 14, 2024Updated 2 years ago
- Contrastive learning harmonizing protein language models and natural language models☆44Jun 12, 2024Updated 2 years ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆31Oct 8, 2026Updated last week
- ☆12Nov 30, 2023Updated 2 years ago
- ☆18May 11, 2026Updated 5 months ago
- Multi-GPU supported kmeans clustering for cluser-clip☆15Jun 3, 2024Updated 2 years ago