Source code and data files for "PEMT: A patent enrichment tool with applicability in drug discovery"
☆17Sep 28, 2026Updated 2 weeks ago
Alternatives and similar repositories for PEMT
Users that are interested in PEMT 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 and data files for manuscript titled "Pharmaceutical patent landscaping: A novel approach to understand patents from the drug…☆15Nov 27, 2023Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Sep 24, 2023Updated 3 years ago
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated 3 months ago
- Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"☆20Sep 9, 2026Updated last month
- ☆13Oct 21, 2018Updated 7 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.
- ☆15Apr 14, 2023Updated 3 years ago
- A collection of small scripts and utilities that would otherwise float around in other repositories☆15Apr 4, 2025Updated last year
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 3 years ago
- ☆15Jul 5, 2022Updated 4 years ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- Modeling framework for eTRANSAFE project☆13Aug 6, 2025Updated last year
- ☆14Jan 11, 2022Updated 4 years ago
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆31Feb 9, 2025Updated last year
- ☆11Oct 3, 2026Updated last week
- 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.
- Namespace encoding hierarchical relationships between proteins, protein families, and protein complexes.☆12Mar 9, 2021Updated 5 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
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- Galaxy Tools for Computational Chemistry☆16Updated this week
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 2 years ago
- ☆23Oct 2, 2024Updated 2 years ago
- repository for "GPCRact: a hierarchical framework for predicting ligand-induced GPCR activity via allosteric communication modeling"☆24Aug 30, 2026Updated last month
- ☆34Mar 11, 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.
- Top open source software from the top 50 pharmaceutical companies☆77Jun 9, 2024Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- A novel method that quantitatively evaluates the impact of PLM in PLI predictions.☆12Sep 14, 2023Updated 3 years ago
- CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions (KDD'25 research track accepted)☆17Aug 6, 2025Updated last year
- A Python package for benchmarking pathway database with functional enrichment and classification methods☆13Mar 2, 2021Updated 5 years ago
- ☆17Sep 4, 2023Updated 3 years ago
- PAgeRAnk-flux on Graphlet-guided network for multi-Omic data integratioN - Network Inference☆11Nov 12, 2024Updated last year
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆20Jun 3, 2025Updated last year
- A deep learning system that predicts Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties from molecular stru…☆18Dec 8, 2025Updated 10 months 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.
- Simple analyses and tutorials on the COVID-19 Knowledge Graph☆14Apr 27, 2020Updated 6 years ago
- Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]☆112Jul 20, 2023Updated 3 years ago
- ☆43Apr 21, 2022Updated 4 years ago
- A Python library for structural cheminformatics☆111Nov 18, 2025Updated 10 months ago
- ☆20Jul 14, 2022Updated 4 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 4 years ago