Stars
List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning
Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
[Arxiv] Discrete Diffusion in Large Language and Multimodal Models: A Survey
List of Molecular and Material design using Generative AI and Deep Learning
A Survey on Multimodal Retrieval-Augmented Generation
Token-Mol 1.0：tokenized drug design with large language model
links to conference publications in graph-based deep learning
a Large-Scale Multi-Modal Dataset Containing 20 Million Descriptions
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
This is an open-source toolkit for Heterogeneous Graph Neural Network(OpenHGNN) based on DGL.
Perform data science on data that remains in someone else's server
A collection of graph foundation models including papers, codes, and datasets.
A curated list of papers related to molecular diffusion models.
A collection of AWESOME things about LLM-Centric-Molecular-Discovery.
Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery
Explore a comprehensive collection of resources, tutorials, papers, tools, and best practices for fine-tuning Large Language Models (LLMs). Perfect for ML practitioners and researchers!
[NeurIPS 2023] LLM-Pruner: On the Structural Pruning of Large Language Models. Support Llama-3/3.1, Llama-2, LLaMA, BLOOM, Vicuna, Baichuan, TinyLlama, etc.
Due to the huge vocaburary size (151,936) of Qwen models, the Embedding and LM Head weights are excessively heavy. Therefore, this project provides a Tokenizer vocabulary shearing solution for Qwen…
Structured Neuron Level Pruning to compress Transformer-based models [ECCV'24]
A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)
Must-read papers on graph neural networks (GNN)
An Open-Source Toolkit for Heterogeneous Information Network Embedding (HINE)