Small algorithm for getting Antoine's coefficient to calculate vapor pressure from NIST web book.
☆12May 30, 2021Updated 5 years ago
Alternatives and similar repositories for NIST-web-book-scraping
Users that are interested in NIST-web-book-scraping are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆22Feb 16, 2024Updated 2 years ago
- API for webbook.nist.gov☆14Aug 24, 2025Updated last year
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Sep 2, 2024Updated 2 years ago
- This repository contains the training routines and the experiments presented in the paper "Graph Neural Networks for the prediction of in…☆15Jul 12, 2023Updated 3 years ago
- ☆11Dec 20, 2023Updated 2 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Gibbs-Helmholtz Graph Neural Network☆21Aug 31, 2023Updated 3 years ago
- Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/☆19Nov 9, 2022Updated 3 years ago
- An app that computes tips, with reference to local currency.☆24Aug 26, 2025Updated last year
- Imperial Chemistry department's introduction to data visualisation and analysis using Python☆10Jul 24, 2026Updated 2 months ago
- LVPP sigma-profile database☆79Oct 8, 2026Updated last week
- ☆110Dec 10, 2025Updated 10 months ago
- Pairwise interaction segment activity coefficients, reference implementation in Python☆19Apr 27, 2024Updated 2 years ago
- Template for Python-based data science projects in the Alexandra Institute.☆12Jul 25, 2026Updated 2 months ago
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 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.
- A Benchmark Implementation of COSMO-SAC☆91Jul 3, 2026Updated 3 months ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆27Apr 25, 2021Updated 5 years ago
- ☆11Jun 23, 2026Updated 3 months ago
- A Python library for end-to-end learning on surfaces. It implements pre-processing functions that include geodesic algorithms, neural net…☆38Updated this week
- Search/browse interface and APIs for the Open Reaction Database☆23Oct 6, 2026Updated last week
- ☆14Sep 10, 2024Updated 2 years ago
- Package to analyze Mass Spec Data☆13Aug 24, 2023Updated 3 years ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆22Jul 6, 2026Updated 3 months ago
- Rapid construction of chemical pipelines in interactive notebooks and cli usage☆14Sep 4, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- The R for Mass Spectrometry Initiative home page☆13May 22, 2026Updated 4 months ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Feb 15, 2022Updated 4 years ago
- A python client for the ClassyFire API☆17May 7, 2020Updated 6 years ago
- Python code to calculate and display the radial wavefunction and associated probabilities of Hydrogen. This is a two particle system so c…☆11Oct 30, 2018Updated 7 years ago
- Matplotlib tips and examples☆11Jun 9, 2020Updated 6 years ago
- ☆13Jul 24, 2024Updated 2 years ago
- Implementation of the BasePlanE models and the experiments from the NeurIPS 2023 paper "PlanE: Representation Learning over Planar Graphs…☆13Jan 27, 2024Updated 2 years ago
- ☆41Nov 2, 2024Updated last year
- Message Passing Neural Networks for Molecule Property Prediction☆52Oct 12, 2022Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Graph Convolutional Network tools for life science☆11Nov 20, 2020Updated 5 years ago
- Exemplos para praticar TDD com Pytest☆13Jun 2, 2018Updated 8 years ago
- Simple tool to convert Agilent, Bruker and Varian FID files to sound.☆18May 6, 2020Updated 6 years ago
- Bridge Python and Bitwig Studio☆21Apr 23, 2019Updated 7 years ago
- Physics Informed Neural Network constrained to follow Gibbs Free Energy Equation☆20Jul 7, 2025Updated last year
- Plot daily data on a 1-year calendar using Python and Matplotlib☆14Apr 5, 2023Updated 3 years ago
- Julia interface to Thermo (github.com/CalebBell/thermo), a Python library for thermodynamics☆16Jun 10, 2026Updated 4 months ago