Releases · IvanChernyshov/NistChemPy · GitHub

8000 Releases · IvanChernyshov/NistChemPy · GitHub

More Web Proxy on the site http://driver.im/

08 May 12:13

1.0.4 Latest

Latest

Fixes bug with incorrect GET parameters within formula search.
Adds nistchempy.utils.get_crawl_delay function.
Adds nistchempy.requests.RequestConfig.max_attempts attribute to soften impact from potential server response errors.
Adds update script scrawling compounds vis formula search.
Refactors all update scripts.

Assets 2

06 May 08:44

1.0.3

Adds functionality to extract gas chromatogaraphy data via nistchempy.compound.Compound.get_gas_chromatography.
Adds functionality to set up requests kwargs via nistchempy.requests.RequestConfig.
Switches to src-layout and pyproject.toml.
Fixes small bugs.

Assets 2

28 Sep 22:21

1.0.2

Adds c.a. 10 000 of missing InChI strings to the pre-saved data on compounds (nistchempy.compound_list.get_all_data).
Fixes bug in update resulted in c.a. 10 000 of missing InChI strings.
Fixes chemical formula parser.
Adds reference to repo containing data extracted from NIST Chemistry WebBook (NistChemData).

Assets 2

28 Sep 12:12

1.0.1

Fixes several bugs:

error why saving spectra via the nistchepy.compound.NistCompound.save_spectra method;
removes unintended spaces in chemical formula.

Assets 2

24 Sep 23:31

1.0.0

The first stable release.

Assets 2

0