chao1224 / SGNN-EBMLinks
Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)
☆13Updated 3 years ago
Alternatives and similar repositories for SGNN-EBM
Users that are interested in SGNN-EBM are comparing it to the libraries listed below
Sorting:
- Research repo for AI aided drug discovery, de novo drug development and related topics☆36Updated 3 years ago
- N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)☆39Updated 4 years ago
- ☆56Updated 4 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆41Updated 11 months ago
- PEER Benchmark, appear at NeurIPS 2022 Dataset and Benchmark Track (https://arxiv.org/abs/2206.02096)☆93Updated 2 years ago
- Official Implementation of "C5T5: Controllable Generation of Organic Molecules with Transformers"☆24Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆53Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- ☆81Updated last year
- Source code for ICLR 2021 paper: "Molecule Optimization by Explainable Evolution"☆30Updated 4 years ago
- [NeurIPS 2023] "Rethinking Tokenizer and Decoder in Masked Graph Modeling for Molecules"☆38Updated last year
- OTGNN code☆55Updated 5 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆80Updated 3 years ago
- Must-read papers on NLP for science.☆58Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- ☆38Updated 2 years ago
- Bi-Level Graph Neural Networks for Drug-Drug Interaction Prediction. ICML 2020 Graph Representation Learning and Beyond (GRL+) Workshop☆30Updated 4 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆53Updated last year
- generative model for drug discovery☆64Updated last month
- Active learning☆28Updated 4 years ago
- PyTorch code accompanying the paper "Self-Improved Retrosynthetic Planning" (ICML 2021).☆21Updated 4 years ago
- ☆96Updated 2 months ago
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆40Updated 3 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Updated 3 years ago
- Exploring Evolution-aware & free protein language models as protein function predictors☆63Updated 11 months ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Updated last year
- [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"☆45Updated 5 months ago
- Associated Repository for "Translation between Molecules and Natural Language"☆182Updated last year
- Codes for "Property-Aware Relation Networks for Few-shot Molecular Property Prediction (NeurIPS 2021)".☆49Updated 3 years ago