Molecular Hypergraph Neural Network
☆44Jul 4, 2025Updated last year
Alternatives and similar repositories for mhnn
Users that are interested in mhnn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ET-Tox☆13Oct 4, 2024Updated last year
- For analysis of calibration, performance, and generalizability of probabilistic models on small molecular datasets. Paper on RSC Digital …☆22May 11, 2023Updated 3 years ago
- Machine Learning using marginalized graph kernel for chemical molecules.☆13Mar 15, 2024Updated 2 years ago
- ☆24Mar 25, 2024Updated 2 years ago
- Hückel model + JAX☆14Oct 13, 2022Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆19Sep 4, 2025Updated last year
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year
- Library for training Gaussian Processes on Molecules☆36Jan 28, 2022Updated 4 years ago
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated last year
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- [ECCV'22] Equivariant Hypergraph Neural Networks, in PyTorch☆31Apr 11, 2023Updated 3 years ago
- ☆16Mar 16, 2023Updated 3 years ago
- ☆15Jan 21, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- [ICLR 2023] "Equivariant Hypergraph Diffusion Neural Operators" by Peihao Wang, Shenghao Yang, Yunyu Liu, Zhangyang Wang, Pan Li☆53Aug 16, 2024Updated 2 years ago
- Inpainting protein sequence and structure☆13Nov 10, 2023Updated 2 years ago
- ☆13Apr 12, 2018Updated 8 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Sep 14, 2024Updated last year
- Explainable deep hypergraph learning modeling the peptide secondary structure prediction☆13Feb 27, 2023Updated 3 years ago
- A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text☆39Oct 22, 2025Updated 10 months ago
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆31Aug 16, 2026Updated 2 weeks ago
- [Sci. Adv. 2026] The official repository of our paper "Steering Semi-flexible Molecular Diffusion Model for Structure-Based Drug Design w…☆34May 2, 2026Updated 4 months ago
- Autonomous characterization of molecular compounds from small datasets without descriptors☆45Jun 25, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆30Mar 27, 2025Updated last year
- Force field-inspired molecular representation learning model☆22Sep 26, 2023Updated 2 years ago
- MDM☆58Feb 9, 2024Updated 2 years ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆96Nov 17, 2023Updated 2 years ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆35Sep 4, 2024Updated 2 years ago
- This is for Meridian (Traditional Chinese Medicine conception) prediction by machining learning method.☆12Sep 30, 2019Updated 6 years ago
- [ICME 2024] Code for H2GT☆17Oct 29, 2024Updated last year
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆12Nov 17, 2023Updated 2 years ago
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆219Feb 15, 2025Updated last year
- 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.
- [EMNLP 2024] HyperBERT: Mixing Hypergraph-Aware Layers with Language Models for Node Classification on Text-Attributed Hypergraphs☆24Apr 6, 2025Updated last year
- An Interpretable Self-Attention Network with block-attention and attention-attribution.☆12Sep 22, 2023Updated 2 years ago
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆171Oct 8, 2023Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆136Jun 9, 2023Updated 3 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆49Dec 18, 2024Updated last year
- ☆24Nov 24, 2024Updated last year
- Deep Generative Models: Diffusion Models for Molecule Generation☆10Jun 17, 2024Updated 2 years ago