Alternatives and similar repositories for InstructMol

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

• fengshikun / FradNMI
  ☆25Updated last year
• YangLing0818 / IRDiff
  [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
  ☆35Updated last year
• LirongWu / Prompt-DDG
  Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…
  ☆42Updated last year
• bowen-gao / ProFSA
  [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment
  ☆17Updated last year
• myprecioushh / ZeroBind
  ☆26Updated last year
• KehanGuo2 / MolPuzzle
  [NeurIPS 24] Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation
  ☆17Updated last month
• GT4SD / multitask_text_and_chemistry_t5
  Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023
  ☆46Updated last year
• SongtaoLiu0823 / FusionRetro
  [ICML 2023] FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
  ☆20Updated last year
• ddz16 / MoMu
  The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".
  ☆29Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆71Updated last year
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆47Updated 2 years ago
• smiles724 / Molformer
  ☆96Updated 7 months ago
• RL4M / KeAP
  An official implementation of Protein Representation Learning via Knowledge Enhanced Primary Structure Reasoning
  ☆28Updated 2 years ago
• DongkiKim95 / Mol-LLaMA
  Official Code Repository for the paper "Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model"
  ☆29Updated 4 months ago
• AI-HPC-Research-Team / GIT-Mol
  A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text
  ☆36Updated 3 months ago
• chao1224 / MoleculeSDE
  A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23
  ☆33Updated last year
• yuewan2 / Retroformer
  ☆51Updated 3 years ago
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆47Updated 2 years ago
• HICAI-ZJU / iMoLD
  Official implementation for Learning Invariant Molecular Representation in Latent Discrete Space (NeurIPS 2023)
  ☆23Updated 2 years ago
• ujk21 / dyn-informed
  ☆12Updated last year
• chao1224 / ProteinDT
  A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)
  ☆101Updated last year
• A4Bio / ADesigner
  The official implementation of the AAAI'24 paper Cross-Gate MLP with Protein Complex Invariant Embedding is A One-Shot Antibody Designer.
  ☆11Updated 2 years ago
• phenixace / MolReGPT
  ☆52Updated last year
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated 2 years ago
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆35Updated 3 years ago
• KyGao / ABGNN
  PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
  ☆55Updated 2 years ago
• Ellenzzn / ChatMol
  ☆22Updated last year
• bowen-gao / SIU
  SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
  ☆17Updated 11 months ago
• biomed-AI / STAMP-DPI
  ☆31Updated 3 years ago
• KyGao / Mol-StrucTok
  Serializing molecule 3D structures
  ☆14Updated last year