Test data for paper “αExtractor: a web server for automatic extraction of chemical structure from literature”
☆19Dec 26, 2023Updated 2 years ago
Alternatives and similar repositories for alpha-Extractor
Users that are interested in alpha-Extractor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆34Apr 23, 2026Updated 3 months ago
- Implementation of “Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language”☆32Jun 12, 2026Updated last month
- Synthetic Accessibility via Fragment Assembly Generation☆24Jul 3, 2026Updated 3 weeks ago
- ☆16Updated this week
- Data and code required to reach the main conclusions of the fastsmcg paper☆11Sep 19, 2023Updated 2 years 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.
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years ago
- ☆21Nov 13, 2025Updated 8 months ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆17May 24, 2022Updated 4 years ago
- Visualizing the space of chemical reactions with the parametric (learnable) t-SNE.☆16May 5, 2022Updated 4 years ago
- ☆24Jul 5, 2023Updated 3 years ago
- ☆11Mar 28, 2024Updated 2 years ago
- RNAGenesis: A Generalist Foundation Model for Functional RNA Therapeutics☆33Jun 28, 2026Updated last month
- ☆11Oct 28, 2022Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- Prediction IncluDinG INactives (**OLD VERSION**) NEW VERSION: https://github.com/lhm30/PIDGINv2)☆13Jun 15, 2017Updated 9 years ago
- ☆13Dec 29, 2022Updated 3 years ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 5 months ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆31Feb 20, 2024Updated 2 years ago
- R Shiny web-app for integrated metabolic network analysis☆11Aug 11, 2022Updated 3 years ago
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated last year
- ☆13Sep 19, 2022Updated 3 years 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.
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆14Mar 22, 2023Updated 3 years ago
- ☆41Nov 2, 2024Updated last year
- ☆18Jun 21, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- Trends in scientific publishing delays☆11Aug 20, 2021Updated 4 years ago
- RXN fork of OpenNMT-py - Open Source Neural Machine Translation in PyTorch☆27Feb 9, 2024Updated 2 years ago
- Read the Meteor tutorials in a minimalist app☆17Jan 7, 2019Updated 7 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆30Jun 30, 2025Updated last year
- llm agent for drug discovery☆40Feb 24, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Computing term cooccurrence in MEDLINE☆18Apr 13, 2021Updated 5 years ago
- [Nat. Commun.] PatCID: an open-access dataset of chemical structures in patent documents☆75Oct 27, 2025Updated 9 months ago
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆20Feb 18, 2025Updated last year
- SciMind: A Multimodal Mixture-of-Experts Model for Advancing Pharmaceutical Sciences☆10Aug 15, 2024Updated last year
- RDKit中文教程☆16Jun 21, 2020Updated 6 years ago
- Computes the Henry coefficient of methane in IRMOF-1☆10Oct 5, 2021Updated 4 years ago
- Resources for Drug Repurposing In Alzheimer's Disease (DRIAD) work☆11Mar 4, 2021Updated 5 years ago