Merge pull request #33 from eloyfelix/patch-1

Merge pull request #34 from eloyfelix/main

package seem to require numpy versions below 2.0

skip unreasonable number of elements

Merge pull request #23 from eloyfelix/issue_22

update requirements.txt

Update setup.py

skip only the current element

Update training data links

Update README.md

fixes #22

Merge pull request #17 from tobbber/main

Update chemistry.py

Update interface.py

replace list comprehension with itertools.starmap