☆81Oct 20, 2023Updated 2 years ago
Alternatives and similar repositories for coronavirus_data
Users that are interested in coronavirus_data are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Scripts for running lsc model on other datasets☆13May 25, 2019Updated 7 years ago
- Descriptor computation(chemistry) and (optional) storage for machine learning☆281Oct 1, 2026Updated 2 weeks ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆48Jan 27, 2022Updated 4 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,505Sep 1, 2026Updated last month
- ☆13Jul 13, 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.
- ☆45Aug 28, 2022Updated 4 years ago
- Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets☆12Feb 21, 2021Updated 5 years ago
- An introduction to machine learning for chemical property prediction☆23Dec 28, 2018Updated 7 years ago
- Network-based Drug Repurposing for Human Coronavirus☆41Feb 4, 2020Updated 6 years ago
- Chemical Property Prediction with Graph Convolutional Networks☆60Mar 3, 2020Updated 6 years ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆14Apr 29, 2020Updated 6 years ago
- Benchmark interpretation of QSAR models☆14Aug 12, 2022Updated 4 years ago
- Information sharing portal about nCov/SARS/MERS for drug discovery☆38Oct 8, 2024Updated 2 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.
- ABC of chemoinformatics☆20Aug 3, 2018Updated 8 years ago
- ☆12Jun 3, 2019Updated 7 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- A script to run structural alerts using the RDKit and ChEMBL☆173Feb 17, 2026Updated 8 months ago
- ☆14Oct 16, 2022Updated 4 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 5 years ago
- ☆20Jan 31, 2021Updated 5 years ago
- Deep Graph Mapper: Seeing Graphs through the Neural Lens☆59Jul 6, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A docker image containing changes applied to the ETKDG conformer generator workflow, with example scripts.☆13Jun 15, 2019Updated 7 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆374Dec 8, 2021Updated 4 years ago
- Scoring of shape and ESP similarity with RDKit☆239Aug 19, 2025Updated last year
- ☆24Jun 23, 2021Updated 5 years ago
- The MinHashed Atom Pair fingerprint of radius 2☆125May 1, 2023Updated 3 years ago
- Python code associated with the paper "A Unifying Framework for Spectrum-Preserving Graph Sparsification and Coarsening'' (NeurIPS, 2019)☆16Jun 9, 2020Updated 6 years ago
- ☆14Sep 4, 2021Updated 5 years ago
- RJT-RL: De novo molecular design using a Reversible Junction Tree and Reinforcement Learning☆24Aug 22, 2022Updated 4 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆25May 16, 2020Updated 6 years ago
- 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.
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 3 years ago
- ☆17Jun 4, 2021Updated 5 years ago
- ☆20Jun 21, 2022Updated 4 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28May 16, 2021Updated 5 years ago
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 years ago
- ☆78Aug 3, 2023Updated 3 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆65Jun 22, 2021Updated 5 years ago