From the journal Digital Discovery Peer review history

15-Feb-2024

Dear Mr Govindarajan:

Manuscript ID: DD-ART-01-2024-000024
TITLE: Learning Conditional Policies for Crystal Design Using Offline Reinforcement Learning

Thank you for your submission to Digital Discovery, published by the Royal Society of Chemistry. I sent your manuscript to reviewers and I have now received their reports which are copied below.

After careful evaluation of your manuscript and the reviewers’ reports, I will be pleased to accept your manuscript for publication after minor revisions. Please see the attached data reviewer checklist.

Please revise your manuscript to fully address the reviewers’ comments. When you submit your revised manuscript please include a point by point response to the reviewers’ comments and highlight the changes you have made. Full details of the files you need to submit are listed at the end of this email.

Digital Discovery strongly encourages authors of research articles to include an ‘Author contributions’ section in their manuscript, for publication in the final article. This should appear immediately above the ‘Conflict of interest’ and ‘Acknowledgement’ sections. I strongly recommend you use CRediT (the Contributor Roles Taxonomy, https://credit.niso.org/) for standardised contribution descriptions. All authors should have agreed to their individual contributions ahead of submission and these should accurately reflect contributions to the work. Please refer to our general author guidelines https://www.rsc.org/journals-books-databases/author-and-reviewer-hub/authors-information/responsibilities/ for more information.

Please submit your revised manuscript as soon as possible using this link :

*** PLEASE NOTE: This is a two-step process. After clicking on the link, you will be directed to a webpage to confirm. ***

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You should submit your revised manuscript as soon as possible; please note you will receive a series of automatic reminders. If your revisions will take a significant length of time, please contact me. If I do not hear from you, I may withdraw your manuscript from consideration and you will have to resubmit. Any resubmission will receive a new submission date.

The Royal Society of Chemistry requires all submitting authors to provide their ORCID iD when they submit a revised manuscript. This is quick and easy to do as part of the revised manuscript submission process.   We will publish this information with the article, and you may choose to have your ORCID record updated automatically with details of the publication.

Please also encourage your co-authors to sign up for their own ORCID account and associate it with their account on our manuscript submission system. For further information see: https://www.rsc.org/journals-books-databases/journal-authors-reviewers/processes-policies/#attribution-id

I look forward to receiving your revised manuscript.

Yours sincerely,
Dr Joshua Schrier
Associate Editor, Digital Discovery

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Reviewer 1

The data and code have open access and correspond to the description in the paper. The code is well written and clearly documented. I would recommend authors to add the requirements.txt file listing all packages the project depends on, such as the matgl library, with correct versions that were used in the course of the work.

As suggested in the Decision Letter, the updated draft without the highlights and track changes is submitted. Both zipped TEX file and the PDF version are included in the submission. Table of contents entry is submitted as a separate document (.docx format), which contains a graphic with a two-line abstract about the paper.

Response to Reviewer 1

requirements.txt file is added in the updated version of the code: https://github.com/chandar-lab/crystal-design. The file includes the correct version of matgl library to be used.

We thank the reviewers and editors for accepting the submission.

27-Feb-2024

Dear Mr Govindarajan:

Manuscript ID: DD-ART-01-2024-000024.R1
TITLE: Learning Conditional Policies for Crystal Design Using Offline Reinforcement Learning

Thank you for submitting your revised manuscript to Digital Discovery. I am pleased to accept your manuscript for publication in its current form.

You will shortly receive a separate email from us requesting you to submit a licence to publish for your article, so that we can proceed with the preparation and publication of your manuscript.

You can highlight your article and the work of your group on the back cover of Digital Discovery. If you are interested in this opportunity please contact the editorial office for more information.

Promote your research, accelerate its impact – find out more about our article promotion services here: https://rsc.li/promoteyourresearch.

If you would like us to promote your article on our LinkedIn account [https://rsc.li/Digital_showcase] please fill out this form: https://form.jotform.com/213544038469056.

By publishing your article in Digital Discovery, you are supporting the Royal Society of Chemistry to help the chemical science community make the world a better place.

With best wishes,

Dr Joshua Schrier
Associate Editor, Digital Discovery


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Please contact the journal at digitaldiscovery@rsc.org

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