Alternatives and similar repositories for DrugAssist

Users that are interested in DrugAssist are comparing it to the libraries listed below

• EDAPINENUT / ppflow
  This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)
  ☆78Updated last month
• Hanziwww / AlphaFold3-GUI
  AFusion: AlphaFold 3 GUI & Toolkit with Visualization
  ☆152Updated 4 months ago
• EDAPINENUT / CBGBench
  Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >
  ☆294Updated 3 weeks ago
• baaihealth / OpenComplex
  Trainable PyTorch framework for developing protein, RNA and complex models.
  ☆259Updated 7 months ago
• acharkq / NExT-Mol
  Source code for ICLR2025 paper "NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation".
  ☆77Updated last week
• MangoKiller / MolTC
  ☆169Updated 11 months ago
• acharkq / MolCA
  Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".
  ☆82Updated last year
• huzongxiang / MatDGL
  MatDGL is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the r…
  ☆52Updated 10 months ago
• Lzcstan / DrugLAMP
  A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern str…
  ☆33Updated last year
• zmyybc / AlphaNet
  A Local Frame-based Atomistic Potential
  ☆104Updated this week
• MasterAI-EAM / Darwin
  An open-source project dedicated to build foundational large language model for natural science, mainly in physics, chemistry and materia…
  ☆233Updated 4 months ago
• ProtLLM / ProtLLM
  [ACL 2024] ProtLLM: An Interleaved Protein-Language LLM with Protein-as-Word Pre-Training
  ☆47Updated last year
• CYF2000127 / MolNexTR
  This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"
  ☆130Updated last month
• DaoyuanLi2816 / Molecule-Generator
  Variational Autoencoder (VAE)-based molecular SMILES string generator
  ☆12Updated 2 months ago
• Future-House / ether0
  A scientific reasoning model, dataset, and reward functions for chemistry.
  ☆81Updated this week
• zhichunguo / Meta-MGNN
  Few-Shot Graph Learning for Molecular Property Prediction
  ☆137Updated 2 years ago
• chao1224 / ChatDrug
  LLM for Drug Editing, ICLR 2024
  ☆149Updated last year
• lamm-mit / ProtAgents
  ☆35Updated last year
• YerevaNN / ChemLactica
  Fine-tuning Galactica and Gemma to operate on SMILES. Integrates into a molecular optimization algorithm.
  ☆33Updated 4 months ago
• phenixace / MolReGPT
  ☆50Updated last year
• Wuyxin / GraphMETRO
  GraphMETRO: Mitigating Complex Graph Distribution Shifts via Mixture of Aligned Experts (NeurIPS 2024)
  ☆24Updated 3 months ago
• lsh0520 / 3D-MoLM
  ☆46Updated last year
• biomap-research / xTrimoPGLM
  The first 100B protein language model from biomap
  ☆16Updated 3 months ago
• QizhiPei / BioT5
  BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)
  ☆114Updated 9 months ago
• DS4SD / MarkushGrapher
  [CVPR 25] MarkushGrapher: Joint Visual and Textual Recognition of Markush Structures
  ☆26Updated 2 weeks ago
• acharkq / ProtT3
  Source code for ACL 2024 paper: "ProtT3: Protein-to-Text Generation for Text-based Protein Understanding"
  ☆39Updated last year
• tyang816 / SES-Adapter
  🎈 Structure-aware adapter fine-tuning PLMs, with high training speed and impressive performance (Journal of Chemical Information and Mod…
  ☆23Updated last month
• yongchao98 / CodeSteer-v1.0
  Code and dataset of CodeSteer
  ☆57Updated 2 months ago
• AspirinCode / awesome-BioMolGenFold
  RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding
  ☆32Updated 3 months ago
• smiles724 / ProtMD
  ☆64Updated last week