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2022.07.06-0

Draft, not yet distributed

Greetings!

We have now received approval to submit our benchmark manuscript from all partners!

  • Arjun Narayanan of Vertex 09/06

  • Ian Craig of BASF got clearance on 07/07

  • Chris Bayly from OpenEye got clearance on 07/06

  • Gary Tresadern of Janssen got clearance on 07/06

  • Thomas Fox of Boehringer-Ingelheim got clearance on 06/23

  • Xavier Lucas of Roche got clearance on 06/22

  • Katharina Meier of Bayer got clearance on 06/21

  • Alberto Gobbi of Genentech got clearance on 06/16

  • Christina Schindler of Merck got clearance on 06/13

  • Bai Xue of XtalPi got clearance on 06/08

  • Kaushik Lakkaraju of BMS got clearance on 03/17

We are extremely grateful to each of you for the commitment to request approval.

Whether possible, we look to hear back from the other partners as soon as possible.

We aim to submit the manuscript to Journal of Computer-Aided Molecular Design once all partners will have completed their internal approval process. Please let us know when this is done.

Cheers! Thanks again to everyone for their contribution to the OpenFF Geometry Optimization Benchmark Manuscript!

The OpenFF Benchmark Team

2022.07.01-0

Distributed to all stakeholders on 2022.07.01 14:30 UTC

Happy Friday!

We have now received approval to submit our benchmark manuscript from 7/10 partners!

  • Thomas Fox of Boehringer-Ingelheim got clearance on 06/23

  • Xavier Lucas of Roche got clearance on 06/22

  • Katharina Meier of Bayer got clearance on 06/21

  • Alberto Gobbi of Genentech got clearance on 06/16

  • Christina Schindler of Merck got clearance on 06/13

  • Bai Xue of XtalPi got clearance on 06/08

  • Kaushik Lakkaraju of BMS got clearance on 03/17

We are extremely grateful to each of you for the commitment to request approval.

Whether possible, we look to hear back from the other partners as soon as possible.

We aim to submit the manuscript to Journal of Computer-Aided Molecular Design once all partners will have completed their internal approval process. Please let us know when this is done.

Cheers! Thanks again to everyone for their contribution to the OpenFF Geometry Optimization Benchmark Manuscript!

The OpenFF Benchmark Team

2022.06.13-0

Distributed to all stakeholders on 2022.06.21 16:20 UTC

Greetings!

We have now received approval to submit our benchmark manuscript from 3/10 partners!

  • Alberto Gobbi of Genentech got clearance on 06/21

  • Christina Schindler of Merck got clearance on 06/13

  • Bai Xue of XtalPi got clearance on 06/08

We are extremely grateful to each of you for the commitment to request approval.

Whether possible, we look to hear back from the other partners as soon as possible.

We aim to submit the manuscript once all partners will have completed their internal approval process. Please let us know when this is done.

Cheers! Thanks again to everyone for their contribution to the OpenFF Geometry Optimization Benchmark Manuscript!

The OpenFF Benchmark Team

2022.06.02-0

Draft, not distributed.Distributed to all stakeholders on 2022.06.02 21:35 UTC

Greetings!

A final draft of the Geometry Optimization Benchmark Manuscript is finally available on Overleaf.
We thank all partners for their valuable feedback and comments. The suggestions made have substantially improved the manuscript.

If you believe that the final draft is ready for submission, please do ask your company for clearance as soon as possible. If you think something is missing or still needs to be addressed, please let us know.
At the moment, the Overleaf link works in read-only mode. We are reaching out Support to fix the issue with edit mode. Meanwhile, if you want to add comments or make changes to the final draft, please reach out directly to us until it gets fixed.

Whether possible, we look to hear back from partners within a couple of weeks. We aim to submit the manuscript once all partners will have completed their internal approval process. Please let us know when this is done.

Cheers! Thanks again to everyone for their contribution to the OpenFF Geometry Optimization Benchmark Manuscript!

The OpenFF Benchmark Team Team

2022.03.17-0

Distributed to all stakeholders on 2022.03.17 12:45 UTC

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