[ACL 2026] A collection of AWESOME things about LLM-Centric-Molecular-Discovery
☆27Sep 7, 2026Updated 3 weeks ago
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
- Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with Mo…☆34Updated this week
- Token-Mol 1.0:tokenized drug design with large language model☆67Jun 1, 2026Updated 3 months ago
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆23Jan 28, 2024Updated 2 years ago
- ☆24Aug 9, 2026Updated last month
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Official repo for PlanViz: Evaluating Planning-Oriented Image Generation and Editing for Computer-Use Tasks☆17Feb 17, 2026Updated 7 months ago
- ☆17Feb 27, 2026Updated 7 months ago
- Code for the paper "NovoMolGen: Rethinking Molecular Language Model Pretraining"☆27Jan 18, 2026Updated 8 months ago
- ☆49Jun 4, 2026Updated 3 months ago
- ☆34Jul 9, 2025Updated last year
- NP-KG: Knowledge Graph Framework for Natural Product-Drug Interactions☆20Jun 25, 2024Updated 2 years ago
- [JCIM'25] AccFG: Functional Group Extraction and Molecular Structure Comparison☆31Jul 30, 2026Updated last month
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- ☆19Nov 19, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- 👌[ICLR 2025] TFG-Flow: Training-free Guidance in Multimodal Generative Flow☆20Mar 4, 2025Updated last year
- ☆40Jun 30, 2024Updated 2 years ago
- ☆31Apr 3, 2025Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆29Dec 2, 2025Updated 9 months ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆35Sep 30, 2025Updated 11 months ago
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆21Jan 2, 2026Updated 8 months ago
- Source code of Venus-MAXWELL: Efficient Learning of Protein-Mutation Stability Landscapes using Protein Language Models☆29Jun 3, 2025Updated last year
- VAE for generating valid SMILES molecules☆15Oct 1, 2021Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Code of "Differentiable Protein Engineering through using Diffusion Transformer over ProTokens"☆21Apr 29, 2025Updated last year
- Multi-GPU supported kmeans clustering for cluser-clip☆15Jun 3, 2024Updated 2 years ago
- llm agent for drug discovery☆45Feb 24, 2026Updated 7 months ago
- ☆24Jan 16, 2026Updated 8 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆118May 6, 2026Updated 4 months ago
- ☆10Apr 19, 2020Updated 6 years ago
- Official companion repository for our survey "A Survey of the OpenClaw Ecosystem: From Platform Extensibility to Constraint Design" — a c…☆20May 31, 2026Updated 3 months ago
- ☆54May 24, 2024Updated 2 years ago
- ☆14May 12, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆14Apr 8, 2025Updated last year
- Codes to generate a bandgap database using ChemDataExtractor.☆10Jun 4, 2025Updated last year
- ☆13Oct 6, 2024Updated last year
- Implementation of Active Anomaly Discovery (AAD) in Python☆14Dec 19, 2017Updated 8 years ago
- GRENADE: Graph-Centric Language Model for Self-Supervised Representation Learning on Text-Attributed Graphs☆16Jan 6, 2025Updated last year
- ☆42Mar 26, 2025Updated last year
- ☆46Jun 20, 2025Updated last year