Lists (20)
ad
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分子动力学模拟1 repository
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visualization8 repositories
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Starred repositories
Junyi-99 / nvitop
Forked from XuehaiPan/nvitopAn interactive NVIDIA-GPU process viewer and beyond, the one-stop solution for GPU process management.
A simple real-time GPU monitoring tool for NVIDIA, AMD and Intel GPUs.
This repo contains annotated research papers that I found really good and useful
MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation
Simple implementation of OpenAI CLIP model in PyTorch.
fabawi / ImageBind-LoRA
Forked from facebookresearch/ImageBindFine-tuning "ImageBind One Embedding Space to Bind Them All" with LoRA
A python package to identfy functional groups in molecules.
Application for detecting functional groups of a molecules.
The source code for "UniBind: LLM-Augmented Unified and Balanced Representation Space to Bind Them All"
A geometric deep learning model for predicting molecular tensorial properties and selected spectra with high accurately and efficiency
【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction
[🏆AAAI2025] Official Repo for ChemVLM: Exploring the Power of Multimodal Large Language Models in Chemistry Area.
A Clash GUI based on tauri. Supports Windows, macOS and Linux.
Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)
LAVIS - A One-stop Library for Language-Vision Intelligence
Large-scale Self-supervised Pre-training Across Tasks, Languages, and Modalities
Graphormer is a general-purpose deep learning backbone for molecular modeling.
MM-Vet: Evaluating Large Multimodal Models for Integrated Capabilities (ICML 2024)
LLM Reasoning Benchmark & Chain-of-Thoughts Dataset for Chemistry
CMPhysBench: A Benchmark for Evaluating Large Language Models in Condensed Matter Physics
Official Repository for the Uni-Mol Series Methods
FAIR Chemistry's library of machine learning methods for chemistry
Distributed PyTorch implementation of multi-headed graph convolutional neural networks
BioReason: Incentivizing Multimodal Biological Reasoning within a DNA-LLM Model | NeurIPS '25
Pytorch implementation of MPNN for Quantum Chemistry