Add benchmarks

[Hrovatin]

EDIT:

• Added 2 chemical data TL benchmarks and 3 synthetic ones.
• Lines:
  • For chemical ones and Hartmann: TL model with 0-10% of data (e.g. 0) and one with non-TL model using only task data (nonTL).
  • For Michaelewicz and Easom: TL model with single source data size(TL), TL with no source data (TL-noSource), and non-TL model with only target data (non-TL).

OLD:
Started by adding direct arylation TL campaign with Temp as task - adapted from the paper.

Will continue adding more. If someone could already check if this goes in the right direction that would be great so that I do not repeat the mistakes for the others.

Things to discuss:

• Where to read data from?
• How should TL benchmarks be set up? E.g. should we always include comparison to no TL and different source data proportions? - We didnt do this before on some datasets as we mainly focused on comparing different TL methods.

[Scienfitz]

@Hrovatin
if there are discussion items before we start the review, can you open one thread per item so we can collect thoughts? if needed we can also have meetings

[AdrianSosic]

First batch of comments, only regarding one benchmark file, but probably apply to the others as well

[AdrianSosic]

Hi @AVHopp: went throught the aryl halides folder. Here some comment first, before I go trhough the other folders

[Scienfitz]

comment for line 1:
Did you change the name of this for or something? Doesnt render properly for me in the actions tab:

I suggest to simply call this

name: Benchmark

no need for additional words