shenwanxiang / ACANetLinks
Activity-Cliff Awareness Enables Robust Graph Learning for Molecular Property Prediction
☆46Updated last month
Alternatives and similar repositories for ACANet
Users that are interested in ACANet are comparing it to the libraries listed below
Sorting:
- Electron-density-informed effective and reliable de novo molecular design and optimization with ED2Mol☆128Updated 4 months ago
- This is the official code of the paper "MolNexTR: a generalized deep learning model for molecular image recognition"☆154Updated 2 weeks ago
- Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >☆316Updated 4 months ago
- [AAAI 2025] Dynamic Protein Data Bank☆780Updated 5 months ago
- Source code for ACL 2024 paper: "ProtT3: Protein-to-Text Generation for Text-based Protein Understanding"☆51Updated last year
- ☆55Updated 10 months ago
- Trainable PyTorch framework for developing protein, RNA and complex models.☆264Updated last year
- This repository is the official code source of PPFlow: Target-Aware Peptide Design with Torsional Flow Matching (ICML2024)☆88Updated 8 months ago
- Source code for ICLR2025 paper "NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation".☆90Updated 5 months ago
- GENERator: A Long-Context Generative Genomic Foundation Model☆442Updated 2 months ago
- The official implementation of GenomeOcean.☆140Updated 3 months ago
- PO2Vec: bidirectional partial-order embeddings encode the GO hierarchy, enabling one-shot extreme multi-label function classification.☆52Updated 10 months ago
- AFusion: AlphaFold 3 GUI & Toolkit with Visualization☆168Updated 4 months ago
- A hybrid deep learning framework for toxicity prediction☆16Updated 2 weeks ago
- ☆167Updated last year
- ☆236Updated last year
- A Local Frame-based Atomistic Potential☆117Updated 3 weeks ago
- [ICML 2025] Implementation of "GNN+ (ModernGNN): Can Classic GNNs Be Strong Baselines for Graph-level Tasks?"☆90Updated 5 months ago
- [Briefings In Bioinformatics] DrugAssist: A Large Language Model for Molecule Optimization☆138Updated 9 months ago
- This is the official code of the paper "A Multi-Agent System Enables Versatile Information Extraction from the Chemical Literature"☆75Updated this week
- [AAAI2023 Oral] The official implementation of "Hierarchical Contrastive Learning for Temporal Point Processes"☆67Updated 10 months ago
- [AAAI2025] The official implementation of "A Plug-and-Play Bregman ADMM Module for Inferring Event Branches in Temporal Point Processes"☆54Updated 2 months ago
- ⚗️ An all-in-one solution for chemical property retrieval from PubChem.☆29Updated last month
- iBKH: The integrative Biomedical Knowledge Hub☆512Updated last week
- A graph-based python framework for fitness landscape analysis☆165Updated 2 months ago
- 🏆 #1 Multi-LLM consensus framework | 550+ stars | 95% accuracy | 10+ LLM providers | Leading cell annotation tool☆627Updated last month
- ☆606Updated last year
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Updated last year
- GENERanno: A Genomic Foundation Model for Metagenomic Annotation☆303Updated last week
- Token-Mol 1.0:tokenized drug design with large language model☆61Updated last month