☆17Dec 12, 2017Updated 8 years ago
Alternatives and similar repositories for SMILESbasedSimilarityKernels
Users that are interested in SMILESbasedSimilarityKernels are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code for "A novel methodology on distributed representations of proteins using their interacting ligands"☆27Feb 23, 2020Updated 6 years ago
- ☆13Nov 29, 2024Updated last year
- Explainable Substructure Partition Fingerprint for Protein, Drug, and More (NeurIPS 19 LMRL Workshop)☆18Oct 30, 2019Updated 6 years ago
- Learn Leetcode from Zero. Categorized tutorial, Practical Skills, Recommended Problems☆10Jun 14, 2023Updated 3 years ago
- A bayesian retrosynthesis algorithm☆15Jun 1, 2026Updated 4 months 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.
- xGAP is an efficient, modular, extensible and fault-tolerant pipeline for massively parallelized genomic analysis/variant discovery from …☆11Oct 21, 2020Updated 5 years ago
- ☆34May 16, 2018Updated 8 years ago
- ☆11Apr 22, 2024Updated 2 years ago
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 5 years ago
- ☆16Jan 1, 2020Updated 6 years ago
- Interpreting graph convolutional filters of target prediction network☆47Mar 8, 2019Updated 7 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆12Aug 11, 2025Updated last year
- Deep Learning for Chemical Image Recognition (DECIMER)☆19May 3, 2021Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- pytorch-version implementation codes of some CV attention models☆17Mar 9, 2021Updated 5 years ago
- Autonomous generator of novel organic compounds from target physicochemical properties. It accelerates innovations in novel materials and…☆19Dec 27, 2017Updated 8 years ago
- ☆10May 17, 2021Updated 5 years ago
- An R data package for NIH EXPORTER data☆15Mar 8, 2025Updated last year
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ☆10Sep 25, 2019Updated 7 years ago
- NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction☆16Nov 14, 2023Updated 2 years ago
- Paper for release☆11Sep 24, 2021Updated 5 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 11 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- ☆13Oct 21, 2018Updated 7 years ago
- ☆12Jul 3, 2021Updated 5 years ago
- VOC sensing circuit and program for automatic fan control of the Bento Box 3D printer filter system.☆23Aug 27, 2025Updated last year
- ☆14Sep 4, 2021Updated 5 years ago
- Optical Chemical Structure Recognition Tool (based on OSRA)☆19Mar 22, 2017Updated 9 years ago
- The development of a free (MIT licensed) tool for drawing molecules and reactions☆10Dec 27, 2013Updated 12 years ago
- 🚬前端自动化测试理论到实战☆12Apr 20, 2021Updated 5 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- REST API for DailyMed SPLs☆13Jan 22, 2021Updated 5 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- ☆15Jul 5, 2022Updated 4 years ago
- ☆16Sep 19, 2022Updated 4 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Signaling Pathway Visualizer☆10Jun 22, 2019Updated 7 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 6 years ago