Python script to scrape PubChem for chemical uses.
☆18Apr 24, 2019Updated 7 years ago
Alternatives and similar repositories for pubchemscrape
Users that are interested in pubchemscrape are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Utilities for interacting with PubChem☆17Feb 11, 2015Updated 11 years ago
- ☆12Apr 16, 2022Updated 4 years ago
- Utility to compile string of chemical terms into data structure with chemical formula and composition☆13Sep 17, 2021Updated 4 years ago
- Code for EMNLP2023 paper "MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter".☆12Dec 27, 2023Updated 2 years ago
- A collection of transformer-based models and developmental scripts presented in the publication "Transformers enable accurate prediction …☆18Oct 3, 2025Updated 7 months 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.
- ☆14Dec 26, 2024Updated last year
- scientific python wrapped in a clean web coat☆21Mar 17, 2026Updated 2 months ago
- ChemicalTagger is a tool for semantic text-mining in chemistry.☆46May 8, 2026Updated 2 weeks ago
- An FEM code for battery-related physics☆12Feb 19, 2026Updated 3 months ago
- 📈 Fusion of sequence, structure and feature information to improve protein solubility prediction (IEEE BIBM 2024).☆35May 16, 2025Updated last year
- Python interface to the ChemKED database format☆18Jul 31, 2024Updated last year
- Dataset and code for "Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity"☆26Apr 24, 2023Updated 3 years ago
- Part of official implementation of "Natural language-informed learning of molecule graphs"☆18Jul 17, 2023Updated 2 years ago
- Course repository for 06-640 - Molecular simulation☆25Dec 5, 2012Updated 13 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.
- User-friendly Freeware for Determining the Concentration of Electrolyte Components in Lithium-Ion Cells Using Fourier Transform Infrared …☆14Dec 8, 2022Updated 3 years ago
- Diagnostic Captioning☆25Dec 8, 2022Updated 3 years ago
- A Unified Language Model to Integrate Biomedical Text with 2D and 3D Molecular Representations☆24Jul 19, 2024Updated last year
- Web scraper for collecting properties from finn.no and analysing prices using scrapy☆12Aug 23, 2020Updated 5 years ago
- Optimal facility location (Set Cover problem); setup costs and changeover times (traveling salesman problem) ; production and transportat…☆21Jul 9, 2018Updated 7 years ago
- Implementation of various machine learning representations for molecules☆25Jan 7, 2022Updated 4 years ago
- A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.☆27Feb 8, 2024Updated 2 years ago
- Utilities to programmatically query the PubChem database☆29Sep 9, 2025Updated 8 months ago
- Chemical representation learning paper in Digital Discovery☆63May 22, 2024Updated 2 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.
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Feb 15, 2022Updated 4 years ago
- ☆23Oct 11, 2022Updated 3 years ago
- Deep Learning for Mortgage Risk☆25Mar 15, 2018Updated 8 years ago
- Joint Optimization of Cascade Ranking Models (WSDM 19)☆13Jun 21, 2022Updated 3 years ago
- hierachical automation of the natural sciences☆24Feb 12, 2025Updated last year
- Educational materials for XAS training courses☆25May 13, 2024Updated 2 years ago
- Library to convert to or from JSON, YAML, XML, PLIST or CSV.☆44Jan 5, 2017Updated 9 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆23Jul 11, 2022Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Code for the Materials Scholar website☆10May 2, 2023Updated 3 years ago
- ☆12Oct 7, 2020Updated 5 years ago
- ☆34Feb 21, 2024Updated 2 years ago
- Antipasti-TF is a lightweight wrapper around Tensorflow for building convolutional neural networks with complex architechtures.☆16May 12, 2017Updated 9 years ago
- Codes and models for "Semi-supervised machine-learning classification of materials synthesis procedures". (https://doi.org/10.1038/s41524…☆10Apr 24, 2022Updated 4 years ago
- A class based Python interface for communication and control of Maccor cyclers via Macnet.☆23Aug 14, 2024Updated last year
- test if the current network allows for direct p2p connections using upnp☆17Feb 1, 2016Updated 10 years ago