The Databases for Drug Discovery (DDD)
☆148Nov 15, 2018Updated 7 years ago
Alternatives and similar repositories for Database-Resources-for-Drug-Discovery
Users that are interested in Database-Resources-for-Drug-Discovery are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks.…☆209Sep 7, 2023Updated 2 years ago
- A high throughput automated drug discovery pipeline.☆30Mar 16, 2018Updated 8 years ago
- Open Drug Discovery Toolkit☆467Dec 13, 2022Updated 3 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- ☆101Apr 28, 2020Updated 6 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- InterpretableDTIP☆20Jul 30, 2018Updated 7 years ago
- ☆15Sep 27, 2024Updated last year
- Information sharing portal about nCov/SARS/MERS for drug discovery☆38Oct 8, 2024Updated last year
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Nov 8, 2020Updated 5 years ago
- Drug-Likeness☆16Dec 11, 2022Updated 3 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14May 7, 2024Updated 2 years ago
- ChEMBL Similarity Search☆19Nov 28, 2020Updated 5 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆79Jun 20, 2024Updated 2 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Sep 28, 2014Updated 11 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆13Jan 17, 2022Updated 4 years ago
- Source code for "A novel methodology on distributed representations of proteins using their interacting ligands"☆27Feb 23, 2020Updated 6 years ago
- Resources used to create the myChEMBL virtual machine☆57Mar 20, 2017Updated 9 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆116Jul 25, 2024Updated last year
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆6,835Updated this week
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆33Feb 7, 2026Updated 5 months ago
- Compressed Graph Representation for Scalable Molecular Graph Generation☆11Sep 24, 2020Updated 5 years ago
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆107Feb 25, 2021Updated 5 years ago
- Deep generative models of voxel grids for structure-based drug discovery☆238Mar 10, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆27Dec 31, 2021Updated 4 years ago
- Source code and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆15Nov 27, 2023Updated 2 years ago
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆165Mar 11, 2025Updated last year
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in …☆149Jun 22, 2026Updated 2 weeks ago
- ☆14Sep 1, 2022Updated 3 years ago
- ☆14Dec 18, 2019Updated 6 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆370Dec 8, 2021Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆294Oct 25, 2023Updated 2 years ago
- A collection of research papers, datasets and software related to knowledge graphs for drug discovery. Accompanies the paper "A review of…☆264May 6, 2026Updated 2 months ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Dec 30, 2022Updated 3 years ago
- Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"☆17Jan 27, 2025Updated last year
- SPVec: A Word2vec-inspired feature representation method for Drug-Target Interaction Prediction☆20Jan 8, 2020Updated 6 years ago
- ☆13May 24, 2026Updated last month
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Dec 8, 2022Updated 3 years ago