TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available about potential targets
☆34Jul 5, 2024Updated 2 years ago
Alternatives and similar repositories for targetDB
Users that are interested in targetDB are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆26Dec 4, 2019Updated 6 years ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 8 years ago
- AI-augmented R-group exploration in medicinal chemistry☆21Sep 25, 2024Updated 2 years ago
- ☆16Jan 5, 2021Updated 5 years ago
- Contains relevant project files to publicly available tautomer database "Tautobase"☆25Nov 8, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Python client for the Open Targets REST API at targetvalidation.org☆26Aug 22, 2025Updated last year
- MolDockLab is a data-driven workflow developed to identify the best balanced consensus Structure-Based Virtual Screening (SBVS) workflow …☆14Jul 28, 2026Updated 3 months ago
- ☆11Oct 3, 2026Updated 3 weeks ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆19Jun 3, 2020Updated 6 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 4 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆19Dec 26, 2022Updated 3 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Sep 7, 2020Updated 6 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.
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 13 years ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Aug 6, 2021Updated 5 years ago
- blogpost notebooks☆20Aug 18, 2020Updated 6 years ago
- In Silico Prediction of Novel Therapeutic Targets Using Gene – Disease Association Data☆18Jan 19, 2018Updated 8 years ago
- Molecular Property Prediction using GP with a SOAP kernel☆22Nov 16, 2020Updated 5 years ago
- ☆24Jun 23, 2021Updated 5 years ago
- ☆17Jun 12, 2026Updated 4 months ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆65Jun 22, 2021Updated 5 years ago
- A fully GPU-accelerated molecular dynamics program for the Martini force field☆36Sep 13, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- ☆10Dec 4, 2021Updated 4 years ago
- ☆52Oct 8, 2020Updated 6 years ago
- ☆10Mar 27, 2025Updated last year
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- ☆15Aug 22, 2026Updated 2 months ago
- Distribution package for BaNDyT: Bayesian Network Analysis of Dynamic Trajectories☆11Mar 30, 2026Updated 7 months ago
- builds the PubChem Bioassay database that is distributed for use with bioassayR☆11Dec 4, 2021Updated 4 years ago
- ☆29Sep 30, 2022Updated 4 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.
- ☆61Nov 29, 2025Updated 11 months ago
- Data files for the molecular modelling course☆14Jan 26, 2024Updated 2 years ago
- Adaptive checkpointing with specialization☆11Jul 9, 2025Updated last year
- Predicting Protein – Ligand Interaction by using Deep Learning Models☆11Nov 13, 2018Updated 7 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 4 years ago
- ☆12Oct 9, 2024Updated 2 years ago
- Graph Learning of INTER-protein contacts☆11Feb 20, 2022Updated 4 years ago