☆44Jun 16, 2023Updated 3 years ago
Alternatives and similar repositories for PA-Graph-Transformer
Users that are interested in PA-Graph-Transformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆28Sep 30, 2022Updated 3 years ago
- ☆13Jun 7, 2024Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆33Nov 9, 2022Updated 3 years ago
- Bayesian MPNNs for Molecular Property Prediction☆30Dec 30, 2020Updated 5 years ago
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆31Jan 5, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Code for "Weisfeiler and Leman go sparse: Towards higher-order graph embeddings"☆21Jan 27, 2022Updated 4 years ago
- TTS前，文本标准化，将数字字母处理转化为汉字☆12Apr 27, 2024Updated 2 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated last year
- Variational Bayes for discrete undirected models☆11Aug 7, 2017Updated 8 years ago
- Graph Convolutional Neural Networks with Complex Rational Spectral Filters☆26Nov 19, 2018Updated 7 years ago
- Bringing node2vec and word2vec together for cool stuff☆22Jan 15, 2020Updated 6 years ago
- ☆19Sep 4, 2025Updated 9 months ago
- Rust crate for linking against the RDKit C++ API☆21Oct 26, 2023Updated 2 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 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.
- A package for uncertainty estimation with PyTorch☆12Aug 26, 2021Updated 4 years ago
- Samples for upura.hatenablog☆15Mar 8, 2020Updated 6 years ago
- Tutorial for the ScHoLP.jl library and reproducing results from the accompanying paper.☆43Apr 2, 2019Updated 7 years ago
- Subgraph-conditioned Graph Information Bottleneck (S-CGIB) is a novel architecture for pre-training Graph Neural Networks in molecular pr…☆15Nov 26, 2025Updated 6 months ago
- Search kaggle competitions and solutions based on data and predict type, evaluation metric, etc.☆13Apr 29, 2023Updated 3 years ago
- ☆14Dec 26, 2024Updated last year
- Auto Encoder on Tensorflow☆12Oct 18, 2017Updated 8 years ago
- The code for SCAGE.☆21Nov 30, 2025Updated 6 months ago
- ☆13Oct 20, 2020Updated 5 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆23Aug 30, 2023Updated 2 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- Electronic structure calculations using Julia☆14Dec 7, 2021Updated 4 years ago
- Parse a SDF file and convert it to an array of objects☆12May 25, 2026Updated 3 weeks ago
- Official PyTorch implementation of "Molecular Representation Learning via Heterogeneous Motif Graph Neural Networks"☆37Dec 14, 2022Updated 3 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Jun 22, 2021Updated 4 years ago
- Visual Convolutional Neural Graph Fingerprints in Theano/Lasagne☆35Sep 23, 2016Updated 9 years ago
- Virtual screening and cheminformatics utilities☆14Jan 20, 2016Updated 10 years ago
- ☆11Feb 18, 2021Updated 5 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.
- A tool to download and format PASCAL VOC 2007 dataset for multilabel classification☆10Jul 17, 2017Updated 8 years ago
- A handy way to manage data in Slack's next-generation platform datastores☆13Jul 8, 2024Updated last year
- An easy way to get latex snippets into Keynote☆22Dec 11, 2016Updated 9 years ago
- ☆16Oct 28, 2024Updated last year
- pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction☆26Apr 24, 2024Updated 2 years ago
- A code for calculating MBTR molecule/crystal structure representation. (https://doi.org/10.1088/2632-2153/aca005)☆14Nov 15, 2022Updated 3 years ago
- ☆16Mar 16, 2023Updated 3 years ago