phenixace / MolReGPT

Related projects: ⓘ

• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆32Updated last week
• HHW-zhou / LLM4Mol
  A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…
  ☆40Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆59Updated 5 months ago
• thomas0809 / textreact
  Predictive Chemistry Augmented with Text Retrieval
  ☆17Updated 6 months ago
• chao1224 / ProteinDT
  ☆40Updated last month
• QizhiPei / BioT5
  BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)
  ☆89Updated this week
• SongtaoLiu0823 / FusionRetro
  [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
  ☆19Updated 2 months ago
• AI-HPC-Research-Team / GIT-Mol
  A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text
  ☆19Updated 5 months ago
• yuewan2 / Retroformer
  ☆43Updated 2 years ago
• ProtLLM / ProtLLM
  [ACL 2024] ProtLLM: An Interleaved Protein-Language LLM with Protein-as-Word Pre-Training
  ☆34Updated 6 months ago
• AlgoMole / MolCRAFT
  Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
  ☆59Updated last month
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆30Updated 5 months ago
• KyGao / ABGNN
  PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
  ☆48Updated 10 months ago
• ddz16 / MoMu
  The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".
  ☆20Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆75Updated 2 weeks ago
• UCSD-AI4H / drugchat
  ☆86Updated this week
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆59Updated 4 months ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆40Updated last year
• lsh0520 / 3D-MoLM
  ☆37Updated 5 months ago
• dual-view-molecule-pretraining / dmp
  ☆10Updated 3 years ago
• zjunlp / MolGen
  [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
  ☆124Updated 4 months ago
• ChemFoundationModels / ChemLLMBench
  What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
  ☆117Updated last month
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆84Updated last year
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆23Updated 2 weeks ago
• IDEA-XL / InstructMol
  InstructMol: Multi-Modal Integration for Building a Versatile and Reliable Molecular Assistant in Drug Discovery
  ☆36Updated 5 months ago
• smiles724 / Molformer
  ☆85Updated 2 years ago
• ml-jku / clamp
  Code for the paper Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language
  ☆85Updated this week
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated 7 months ago
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆35Updated last year