OTGNN code
☆57Jun 5, 2020Updated 6 years ago
Alternatives and similar repositories for OTGNN
Users that are interested in OTGNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆61Mar 24, 2019Updated 7 years ago
- ☆13Apr 15, 2024Updated 2 years ago
- ☆165Mar 14, 2024Updated 2 years ago
- ☆10Jun 22, 2022Updated 4 years ago
- A Tensorflow implementation of the paper https://arxiv.org/pdf/1803.07710.pdf☆14Jun 19, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- ☆15Sep 14, 2021Updated 4 years ago
- RT2 Lab website, built with Jekyll.☆15Apr 12, 2023Updated 3 years ago
- ☆11Jan 5, 2022Updated 4 years ago
- ☆13May 16, 2018Updated 8 years ago
- Code for ICML 2020 "Graph Optimal Transport for Cross-Domain Alignment"☆164Jul 24, 2020Updated 6 years ago
- [ICML2023] InfoOT: Information Maximizing Optimal Transport☆41Apr 27, 2023Updated 3 years ago
- ☆81Oct 20, 2023Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Fine-tuning of ChemBERTA LLMs to predict molecules' HIV inhibition replication.☆35Sep 15, 2023Updated 2 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆41Jan 14, 2023Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆31Dec 30, 2022Updated 3 years ago
- cfid: R package for identifying counterfactuals.☆11Dec 11, 2025Updated 8 months ago
- Code for "Fast Unbalanced Optimal Transport on a Tree" (NeurIPS 2020)☆13Oct 22, 2020Updated 5 years ago
- Source code for "Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures" (NeurIPS 2020 Workshop)☆72Nov 15, 2023Updated 2 years ago
- Official PyTorch implementation for the paper Generalizable Face Landmarking Guided by Conditional Face Warping (CVPR 2024).☆24Nov 21, 2024Updated last year
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆260Sep 22, 2023Updated 2 years ago
- Code for our ICLR19 paper "Wasserstein Barycenters for Model Ensembling", Pierre Dognin, Igor Melnyk, Youssef Mroueh, Jarret Ross, Cicero…☆24Nov 18, 2019Updated 6 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- "Oblique Decision Trees from Derivatives of ReLU Networks" (ICLR 2020, previously called "Locally Constant Networks")☆21Apr 27, 2021Updated 5 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆59Jun 29, 2023Updated 3 years ago
- Learning free energy landscapes using artificial neural networks☆15Nov 30, 2017Updated 8 years ago
- Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecu…☆33Sep 23, 2021Updated 4 years ago
- Source Code for ICML 2022 paper "Boosting Graph Structure Learning with Dummy Nodes"☆19Apr 24, 2023Updated 3 years ago
- Generative model for molecular distance geometry☆38Mar 24, 2023Updated 3 years ago
- ☆10Nov 17, 2020Updated 5 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- ☆41Jul 5, 2024Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Multimodal Pretraining for Unsupervised Protein Representation Learning☆22Jul 30, 2024Updated 2 years ago
- MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational d…☆10Sep 1, 2020Updated 6 years ago
- ☆10Nov 23, 2020Updated 5 years ago
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆55Dec 16, 2022Updated 3 years ago
- ☆13Jun 7, 2024Updated 2 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- UniCell Deconvolve Paper☆10Apr 25, 2023Updated 3 years ago