HHW-zhou / TSMMGLinks
Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"
☆14Updated 4 months ago
Alternatives and similar repositories for TSMMG
Users that are interested in TSMMG are comparing it to the libraries listed below
Sorting:
- This repository contains information on the creation, evaluation, and benchmark models for the L+M-24 Dataset. L+M-24 will be featured as…☆31Updated 9 months ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆31Updated last year
- [EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.☆22Updated last year
- ☆22Updated last year
- [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation☆15Updated 7 months ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated 2 years ago
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆43Updated 2 months ago
- ☆14Updated last year
- DrugGen: Advancing Drug Discovery with Large Language Models and Reinforcement Learning Feedback☆18Updated 5 months ago
- ☆20Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆44Updated last year
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆39Updated last year
- [ACL 2024] ProtLLM: An Interleaved Protein-Language LLM with Protein-as-Word Pre-Training☆50Updated last year
- ☆14Updated 2 years ago
- Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"☆26Updated last month
- ☆16Updated 4 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆21Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- coming soon☆28Updated 2 years ago
- Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction☆22Updated 5 years ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆53Updated last year
- ☆19Updated last year
- Code and Data for the paper: Multi-level Protein Structure Pre-training with Prompt Learning [ICLR 2023]☆33Updated 2 years ago
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆19Updated 3 weeks ago
- ☆21Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆43Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆31Updated 2 years ago
- ☆51Updated last year
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆14Updated last year