Junction Tree Variational AutoEncoder Implementation Attempt
☆11Jun 21, 2018Updated 8 years ago
Alternatives and similar repositories for jt-vae
Users that are interested in jt-vae are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Nov 17, 2020Updated 5 years ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆13Apr 19, 2024Updated 2 years ago
- User interface to perform quantum transport calculations with non equilibrium Green's functions☆14Aug 14, 2018Updated 7 years ago
- RDKit wrapper☆50Apr 9, 2024Updated 2 years ago
- ☆12Oct 28, 2019Updated 6 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- NPGPT: Natural Product-Like Compound Generation with GPT-based Chemical Language Models☆15Sep 5, 2025Updated 10 months ago
- Source code for Single-step Retrosynthesis Prediction by Leveraging Commonly Preserved Substructures☆15Jun 9, 2023Updated 3 years ago
- ☆12Sep 4, 2019Updated 6 years ago
- Structure Generator based on R-Group (SGRG)☆11Sep 28, 2019Updated 6 years ago
- ☆10May 24, 2021Updated 5 years ago
- Neural Algorithmic Reasoning Tutorial☆11Dec 21, 2022Updated 3 years ago
- Telegram bot for Random Coffee☆12Apr 22, 2022Updated 4 years ago
- ☆11Jul 22, 2022Updated 4 years ago
- ☆14Mar 25, 2023Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- material for cheminfo tutorial☆13Oct 26, 2023Updated 2 years ago
- Code & experiments for MINDWALC: Mining Interpretable, Discriminative Walks for Classification of Nodes in a Graph☆13Jul 4, 2024Updated 2 years ago
- Basic LLVM passes☆17Oct 7, 2018Updated 7 years ago
- Proof system for Fact Verification☆14Jun 7, 2022Updated 4 years ago
- ☆13Apr 23, 2019Updated 7 years ago
- Use IPython notebook interactively on a HPC system☆20Mar 26, 2014Updated 12 years ago
- A repository of workshop slides used in SWEN30006 - Software Modelling and Design workshops.☆13Aug 19, 2024Updated last year
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Feb 11, 2026Updated 5 months ago
- Implementation of paper "Explanability-based backdoor attacks against graph neural networks"☆12Aug 1, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Source code for "Olfactory Label Prediction on Aroma-Chemical Pairs"☆16Oct 1, 2025Updated 9 months ago
- A mighty small, 45% ortholinear keyboard☆20Sep 3, 2020Updated 5 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆564Dec 1, 2022Updated 3 years ago
- Multi Stage Attentional UNet☆11Dec 23, 2021Updated 4 years ago
- Grammar prioritization support for EUSolver.☆14Jul 18, 2019Updated 7 years ago
- Hierarchical Embedding for Drugs☆17Apr 18, 2024Updated 2 years ago
- Leveraging Heterogeneous Network Embedding for Metabolic Pathway Prediction☆17Jul 8, 2021Updated 5 years ago
- Docker recipes for Julia builds with JuliaGPU packages.☆21Feb 4, 2020Updated 6 years ago
- infinite Gaussian Mixture Model(Dirichlet Process Gaussian Mixture Model) by gibbs sampling. Multivaraite Gaussian with full covariance a…☆14Feb 23, 2019Updated 7 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Optical Chemical Structure Recognition Tool (based on OSRA)☆19Mar 22, 2017Updated 9 years ago
- An unofficial implementation of 'Inverse-Transform AutoEncoder for Anomaly Detection', paper see https://arxiv.org/abs/1911.10676☆13Aug 7, 2020Updated 5 years ago
- Short and simple Python scripts for simulating Bose-Einstein Condensate (BEC) dynamics with the Gross-Pitaevskii equation (GPE)☆25Aug 24, 2016Updated 9 years ago
- ☆29Mar 16, 2023Updated 3 years ago
- Explores jigsaw puzzles solvinig as pre-text task for fine grained classification for bird species identification (Implemented with pyTor…☆23Feb 8, 2020Updated 6 years ago
- Package Homepage: http://bioconductor.org/packages/devel/bioc/html/annotatr.html Bug Reports: https://support.bioconductor.org/p/new/post…☆27Oct 14, 2025Updated 9 months ago
- Conformer multi-instance machine Learning☆60Sep 29, 2025Updated 9 months ago