A multi-model framework for blood-brain barrier permeability discovery
☆17Jun 6, 2022Updated 4 years ago
Alternatives and similar repositories for Deep-B3
Users that are interested in Deep-B3 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆13Feb 24, 2022Updated 4 years ago
- DeePred-BBB is a deep Neural network-based model for prediction of blood brain barrier permeability of compounds using Simplified Molecul…☆28Apr 23, 2023Updated 3 years ago
- The repository contains the data and the codes for the manuscript "Relational graph convolutional networks for predicting blood-brain bar…☆15May 21, 2025Updated last year
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 3 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.
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Sep 27, 2020Updated 6 years ago
- BrainPepPass: A framework based on supervised dimensionality reduction for predicting blood-brain barrier-penetrating peptides.☆12Jun 5, 2023Updated 3 years ago
- an attention mechanism-based deep neural network for protein lysine lactylation site prediction in Rice (Oryza sativa)☆11Jan 22, 2022Updated 4 years ago
- Detect and identify different species of harmful algae within natural water in real-time with AI and a camera (i.e., ESP32-CAM, smartphon…☆16Apr 30, 2026Updated 6 months ago
- ☆47Nov 9, 2023Updated 2 years ago
- ☆80Sep 17, 2023Updated 3 years ago
- ☆13Feb 7, 2023Updated 3 years ago
- Algorithms for prediction of drug-target interactions via computational (chemogenomic) methods☆48Apr 26, 2019Updated 7 years ago
- A large benchmark dataset, Blood-Brain Barrier Database (B3DB), complied from 50 published resources.☆82Sep 10, 2025Updated last year
- 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.
- Hackintosh for Lenovo ThinkCentre M90n-1☆10Aug 10, 2020Updated 6 years ago
- A Python framework for the rapid modeling of glycans☆19Updated this week
- ☆12Jun 14, 2025Updated last year
- AttentionDTA: prediction of drug–target binding affinity using attention model.https://ieeexplore.ieee.org/abstract/document/8983125☆13Aug 29, 2020Updated 6 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- ☆14Jul 12, 2021Updated 5 years ago
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆18Jun 27, 2023Updated 3 years ago
- ☆32Nov 15, 2022Updated 3 years ago
- Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.☆13Aug 12, 2025Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- MassKG is a knowledge-based computational tool for annotating mass spectra of natural products and discovering novel structures from crud…☆12Mar 8, 2025Updated last year
- Formula IDentification from tandem mass spectra by Deep LEarning☆17Updated this week
- ☆16Jul 13, 2025Updated last year
- SPVec: A Word2vec-inspired feature representation method for Drug-Target Interaction Prediction☆20Jan 8, 2020Updated 6 years ago
- Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"☆21Sep 9, 2026Updated last month
- ☆17Apr 28, 2020Updated 6 years ago
- ☆13May 25, 2025Updated last year
- Biomedical Entity Linking Benchmark☆15Sep 24, 2026Updated last month
- ☆71Mar 13, 2023Updated 3 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.
- K-Means clustering of molecules with the FASS library from Facebook AI Research☆11Apr 22, 2019Updated 7 years ago
- A clustering force type for the d3-force-3d simulation engine☆13Jun 5, 2025Updated last year
- DOCK6_Screening_Protocols: Version 6.9 developed and managed by the Rizzo Lab of Stony Brook University☆13Jan 27, 2023Updated 3 years ago
- K-BERT for molecular property prediction.☆31Jul 25, 2022Updated 4 years ago
- Generative Adversarial Network: Optimization in Targeted Design☆16Apr 12, 2022Updated 4 years ago
- The nPYc-Toolbox defines objects for representing, and implements functions to manipulate and display, metabolic profiling datasets.☆25Jul 23, 2026Updated 3 months ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆32Oct 13, 2026Updated 2 weeks ago