OTGNN code
☆56Jun 5, 2020Updated 5 years ago
Alternatives and similar repositories for OTGNN
Users that are interested in OTGNN are comparing it to the libraries listed below
Sorting:
- ☆61Mar 24, 2019Updated 6 years ago
- ☆13Sep 14, 2021Updated 4 years ago
- ☆166Mar 14, 2024Updated last year
- ☆10Nov 17, 2020Updated 5 years ago
- ☆13Apr 15, 2024Updated last year
- ☆11Nov 11, 2023Updated 2 years ago
- Resources for Drug Repurposing In Alzheimer's Disease (DRIAD) work☆11Mar 4, 2021Updated 5 years ago
- ☆11Jan 5, 2022Updated 4 years ago
- ☆10Jun 22, 2022Updated 3 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 6 months ago
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆32Apr 26, 2023Updated 2 years ago
- RT2 Lab website, built with Jekyll.☆15Apr 12, 2023Updated 2 years ago
- Learning free energy landscapes using artificial neural networks☆14Nov 30, 2017Updated 8 years ago
- MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphan…☆11Oct 16, 2022Updated 3 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- Molecular Out-Of-Distribution☆39Apr 16, 2025Updated 10 months ago
- Code for "Fast Unbalanced Optimal Transport on a Tree" (NeurIPS 2020)☆13Oct 22, 2020Updated 5 years ago
- Manifold aware pytorch layers☆13Apr 25, 2020Updated 5 years ago
- Source code of KDD'22 paper: Learning to Rotate: Quaternion Transformer for Complicated Periodical Time Series Forecasting☆31May 12, 2023Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- ☆13May 16, 2018Updated 7 years ago
- A combination of RoBERTa trained from scratch on masking histone modification patterns rather than the English language and XGBoost, pred…☆13Apr 22, 2021Updated 4 years ago
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆35Sep 15, 2023Updated 2 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆59Jun 29, 2023Updated 2 years ago
- ☆17Mar 11, 2023Updated 2 years ago
- ☆17Mar 30, 2023Updated 2 years ago
- Source Code for ICML 2022 paper "Boosting Graph Structure Learning with Dummy Nodes"☆20Apr 24, 2023Updated 2 years ago
- An efficient curriculum learning-based strategy for molecular graph learning☆18Sep 22, 2023Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Source code for "Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation" (IJCAI 2020)☆17Jul 25, 2024Updated last year
- Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecu…☆32Sep 23, 2021Updated 4 years ago
- A light-weight PyTorch extension for equivariant deep learning☆18Feb 20, 2025Updated last year
- Research Paper: "Graph Contrastive Learning as a Versatile Foundation for Advanced scRNA-seq Data Analysis"☆10Nov 20, 2024Updated last year
- ☆20Jan 13, 2026Updated last month
- Physarum Powered Differentiable Linear Programming Layers☆18Oct 27, 2021Updated 4 years ago
- An experimental repo for experimenting with PyTorch models☆38Mar 24, 2023Updated 2 years ago
- Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures" (NeurIPS 2020 Workshop)☆73Nov 15, 2023Updated 2 years ago
- Code for ICML 2020 "Graph Optimal Transport for Cross-Domain Alignment"☆161Jul 24, 2020Updated 5 years ago
- ☆125Sep 16, 2023Updated 2 years ago