CH485 - Artificial Intelligence and Chemistry
☆125Feb 28, 2019Updated 7 years ago
Alternatives and similar repositories for CH485---Artificial-Intelligence-and-Chemistry
Users that are interested in CH485---Artificial-Intelligence-and-Chemistry are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆12Jun 3, 2025Updated 10 months ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆107Mar 20, 2022Updated 4 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- Molecular-GAT☆21May 30, 2018Updated 7 years ago
- ☆11Apr 22, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Data repository for pkasolver☆12Mar 28, 2022Updated 4 years ago
- Genetic algorithm to convert 3D-RISM solvent densities to explicit water molecules in binding pockets☆13Dec 19, 2017Updated 8 years ago
- Input- hand-drawn image of molecule... Output- SMILES format molecule name☆16Apr 23, 2019Updated 6 years ago
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆67Sep 9, 2019Updated 6 years ago
- A molecular identifier and descriptor for all domains of chemistry.☆26Dec 23, 2025Updated 3 months ago
- ☆25Oct 14, 2020Updated 5 years ago
- Molecular SMILE generation with recurrent neural networks☆21Jul 13, 2025Updated 9 months ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- ☆524Feb 18, 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.
- Notes and codes of the topic "Bayesian deep learning"☆57Nov 30, 2018Updated 7 years ago
- Enhanced Thompson Sampling☆12Apr 14, 2025Updated 11 months ago
- CH485 - Artificial Intelligence and Chemistry☆14Jan 1, 2020Updated 6 years ago
- BayeshERG Official Repository☆16May 30, 2025Updated 10 months ago
- Virtual screening approach for fragments selection and merging to lead-like compounds☆13Aug 20, 2021Updated 4 years ago
- Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow☆556Mar 24, 2023Updated 3 years ago
- Code to analyze SAR datasets for Nonadditivity☆19Aug 8, 2021Updated 4 years ago
- Python for chemoinformatics☆52Apr 21, 2019Updated 6 years ago
- ☆57May 20, 2025Updated 10 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Another Molecular String Representation☆10Updated this week
- Tensorflow implementation of Generating Focussed Molecule Libraries for Drug Discovery with Recurrent Neural Networks☆29Feb 4, 2019Updated 7 years ago
- ☆34Feb 28, 2022Updated 4 years ago
- ☆49Jan 6, 2020Updated 6 years ago
- Recurrent Neural Network using randomized SMILES strings to generate molecules☆93Feb 5, 2020Updated 6 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Sep 7, 2020Updated 5 years ago
- 텍스트마이닝 실습을 위한 데이터셋 핸들러☆38Dec 6, 2019Updated 6 years ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Sep 24, 2023Updated 2 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.
- ☆17Aug 22, 2023Updated 2 years ago
- ☆37Mar 21, 2021Updated 5 years ago
- 🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VI…☆125Nov 25, 2023Updated 2 years ago
- ☆17Nov 16, 2018Updated 7 years ago
- ☆13Aug 31, 2022Updated 3 years ago
- Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"☆89Jul 27, 2022Updated 3 years ago
- ☆68Jul 28, 2020Updated 5 years ago