Molli

This is a documentation update release. A significant number of new/revamped examples have been added to the repository to illustrate various use cases and functionality. These can be viewed in the `examples-jupyter` and `examples-zenodo` folders.

What's changed
* Documentation and Example Cases by blakeo2 155

Mostly a bugfix release. Workflow fixes are meant to deal with automating package upload to pypi and anaconda.

Added timing benchmarks in support of the publications.

What's Changed
* Workflow fix by esalx in https://github.com/SEDenmarkLab/molli/pull/142
* Workflow fix by esalx in https://github.com/SEDenmarkLab/molli/pull/143
* Workflow fix by esalx in https://github.com/SEDenmarkLab/molli/pull/144
* Workflow fix by esalx in https://github.com/SEDenmarkLab/molli/pull/145
* HotFix to Make Ligand Mol2 Bond Type by blakeo2 in https://github.com/SEDenmarkLab/molli/pull/146
* Additional benchmarks for SI by KazuriCode in https://github.com/SEDenmarkLab/molli/pull/147
* Reimplementation of Recollect by blakeo2 in https://github.com/SEDenmarkLab/molli/pull/148


**Full Changelog**: https://github.com/SEDenmarkLab/molli/compare/v1.1.0...v1.2.0

Overview
This release is for the purposes of setting the versioning straight after some unfortunate mishaps around v1.0.0. Mostly a bugfix release. Some of the more important changes targeted the `.CDXML` file parsing.
*Notable new functionality*:
- Multi-attachment bonds from CDXML files
- openbabel optimization of coordination complexes.

What's Changed
* Hot Fix to Bonds and Substructure by blakeo2 in https://github.com/SEDenmarkLab/molli/pull/130
* Fix Problem with `chk_topo` not being added to command by blakeo2 in https://github.com/SEDenmarkLab/molli/pull/131
* RDKit x Molli Update by blakeo2 in https://github.com/SEDenmarkLab/molli/pull/133
* Fix parsing of charges, multiplicities and implicit hydrogens from CDXML files by esalx in https://github.com/SEDenmarkLab/molli/pull/140
* Bugfix small issues by esalx in https://github.com/SEDenmarkLab/molli/pull/141
* Nwchem Update by blakeo2 in https://github.com/SEDenmarkLab/molli/pull/138

Fixes
* Fixed the problem with AEIF descriptor computation in batches (thanks to radon000000001 for reporting)

**Full Changelog**: https://github.com/SEDenmarkLab/molli/compare/v0.99.4...v1.1.0

Testing again.

Testing release only, please disregard.

This pre-release is largely stable, but still please do not use in production-ready code. Testing semver and pypi / conda version compatibility.

[UPD]: only simple versions are supported, it would seem. Too bad. Changing to v0.99.2
Updating the publishing workflow now