blazerye / DrugAssistLinks
[Briefings In Bioinformatics] DrugAssist: A Large Language Model for Molecule Optimization
☆134Updated 4 months ago
Alternatives and similar repositories for DrugAssist
Users that are interested in DrugAssist are comparing it to the libraries listed below
Sorting:
- AFusion: AlphaFold 3 GUI & Toolkit with Visualization☆152Updated 5 months ago
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆82Updated 2 months ago
- Trainable PyTorch framework for developing protein, RNA and complex models.☆259Updated 8 months ago
- Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >☆302Updated 2 months ago
- An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and materia…☆240Updated 5 months ago
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆83Updated last year
- A Local Frame-based Atomistic Potential☆109Updated last month
- MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the r…☆51Updated last year
- Source code for ICLR2025 paper "NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation".☆83Updated last month
- ☆169Updated last year
- Few-Shot Graph Learning for Molecular Property Prediction☆137Updated 2 years ago
- A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern str…☆34Updated last year
- Variational Autoencoder (VAE)-based molecular SMILES string generator☆12Updated 3 months ago
- GraphMETRO: Mitigating Complex Graph Distribution Shifts via Mixture of Aligned Experts (NeurIPS 2024)☆26Updated 5 months ago
- Config files for my GitHub profile.☆53Updated last year
- ☆14Updated last year
- TxBKG - Knowledge Graph Generation for Any PDFs☆184Updated 8 months ago
- ☆42Updated last month
- ☆13Updated 3 years ago
- This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"☆135Updated 3 weeks ago
- Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.☆34Updated 5 months ago
- The Effect of Metadata on Scientific Literature Tagging: A Cross-Field Cross-Model Study (WWW'23)☆65Updated 2 years ago
- LLM for Drug Editing, ICLR 2024☆152Updated last year
- (NeurIPS 2024) AvaTaR: Optimizing LLM Agents for Tool Usage via Contrastive Reasoning☆219Updated last month
- This repository contains the core implementation of our ICML 2025 paper: "Token Signature: Predicting Chain-of-Thought Gains with Token D…☆41Updated 3 weeks ago
- 适用于多孔材料吸附性质模拟软件——RASPA的脚本工具集合，可用于并行计算等温线、高通量模拟，zeo++参数自动化计算、批量结果分析等。A collection of scripting tools for RASPA, which can be used for para…☆49Updated 4 months ago
- The first 100B protein language model from biomap☆16Updated 4 months ago
- [KDD 2024]this is project for training explicit graph reasoning large language models.☆94Updated 7 months ago
- OpenMM, an open-source platform for molecular dynamics (MD) simulations, is supported by an MCP server that offers a structured communica…☆28Updated 2 months ago
- Hybrid Latent Reasoning via Reinforcement Learning☆145Updated 2 months ago