François Bérenger

Hello, In ChEMBL_Structure_Pipeline/chembl_structure_pipeline/exclude_flag.py: METAL_LIST should be a dictionary or a string set, instead of a list. Cool project, thanks a lot for releasing it. Regards, F.

you could add twofish

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https://github.com/mbacarella/opws/blob/master/twofish.ml

Can you protect all messages?

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i.e. have agents use encryption.

port to multicore-OCaml

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if a volunteer shows up...

We don't want Parmap to be invoked in vain. Also, this would ease writing tests for Parmap. List.map is equivalent to Parmap.map ~ncores:1 and there is almost no overhead.

A diff of pdf files would be nice. I think a simple version would be to extract the text of both PDFs, then highlight the delta in an output pdf....

Hello, I cannot find your e-mail, so I am using this issue. You might be interested in this paper: "Structure–reactivity modeling using mixture-based representation of chemical reactions" https://link.springer.com/article/10.1007%2Fs10822-017-0044-3 I saw...

Maybe of interest: https://github.com/UnixJunkie/molenc/blob/master/bin/molenc_panascan.py I think it is correct, but if another pair of eyes could vet it, that would be great.