oscarcontrerasnavas / NIST-web-book-scrapingLinks
Small algorithm for getting Antoine's coefficient to calculate vapor pressure from NIST web book.
☆10Updated 4 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
Sorting:
- Pairwise interaction segment activity coefficients, reference implementation in Python☆18Updated last year
- Tools for ThermoML parsing☆21Updated 4 years ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆66Updated this week
- ☆16Updated 5 months ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 7 years ago
- Search/browse interface and APIs for the Open Reaction Database☆22Updated 3 weeks ago
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Updated 3 years ago
- A Benchmark Implementation of COSMO-SAC☆67Updated 3 months ago
- ☆21Updated 3 weeks ago
- An open-source, online textbook introducing Python programming to chemistry students☆26Updated 4 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆16Updated last week
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆69Updated 4 months ago
- Computational Chemistry Input Generator☆50Updated 10 months ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆20Updated 2 years ago
- ☆14Updated last year
- Template-directed automatic generation of transition state structures.☆11Updated 8 years ago
- AutoTST: A framework to perform automated transition state theory calculations☆43Updated last year
- Automated reaction pathway search for gas-phase molecules☆57Updated last week
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated last year
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆27Updated last year
- ☆27Updated 5 months ago
- Mychem is an extension for MySQL that makes possible to use cheminformatics functions within SQL queries.☆21Updated 3 months ago
- Graph-based machine learning for chemical property prediction☆32Updated 7 months ago
- DENOPTIM is a software package for de novo design and virtual screening of functional molecules of any kind.☆38Updated last week
- Shape-based alignment of molecules using 3D point-based representation☆22Updated last year
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago
- A molecule viewer with cavity computation☆16Updated 4 months ago
- Parallel algorithms for MDAnalysis☆31Updated last year
- JSME Molecule Editor ipywidget for jupyter notebook☆12Updated 2 months ago