jacksund simmate Ideas · Discussions · GitHub

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Evolutionary search with molecules

scott-materials started Jan 11, 2024 in Ideas

1
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Incorporating warrenapp directly into Simmate

SWeav02 started Nov 2, 2023 in Ideas

1
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rdkit integration

scott-materials started Oct 24, 2023 in Ideas

6
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Creating high throughput workflow that pulls from local directory

SWeav02 started May 13, 2023 in Ideas

5
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Database caching

scott-materials started Jan 2, 2023 in Ideas

7
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Switch default database?

scott-materials started Jan 4, 2023 in Ideas

2