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It would be desirable to make it easier for users to combine molecules parameterised with openff-bespokefit with other system components. This would lower barriers for benchmarking studies with force…
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Section 3 of the spec currently uses ':' to separate parameter names from their values in the standard interchange file format. This makes the files similar in appearance to a Python dictionary.
An…
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Author Name: **Hank** (Hank)
Original Redmine Issue: 80679, https://vlab.noaa.gov/redmine/issues/80679
Original Date: 2020-07-09
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As stated in the meeting, this ticket is to facilitate/tra…
epag updated
3 months ago
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At our macromolecular crystallography beamlines, we have recently added the capability to do EXAFS on protein crystal samples. The interesting question for us which we hoped XDI would answer is: "Wha…
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Please add references for both the "REST architectural style" (https://ics.uci.edu/~fielding/pubs/dissertation/rest_arch_style.htm ?) and the "JSON data-interchange format" (RFC 8259?). They're core p…
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The file format used for schematics not suited well and needs a replacement.
- Connectivity is implicit. The parser, netlister and everything in between relies on guesswork to make connections betw…
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## CVE-2023-1370 - High Severity Vulnerability
Vulnerable Library - json-smart-2.3.jar
JSON (JavaScript Object Notation) is a lightweight data-interchange format. It is easy for humans to read and w…
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An important feature of requirements managers is the interchange of requirements documents, between teams, companies, and programs. ReqIF is the standard interchange format for this class of products…
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In order to work with interchange and the latest openff toolkits we need to update our plugins to follow the new [interchange format](https://docs.openforcefield.org/projects/interchange/en/stable/usi…
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A lot of FE workflows involve using multiple programs for data analysis or calculations. In particular, at UNC we read and write a lot of ExodusII data: both geometries and FE fields.
To this end w…