grammar
Browse files- app.py +1 -1
- introduction_page.md +1 -7
app.py
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# What's next?
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1. Expose additional tools to post-process the results of the simulations (ex: Plot images of the molecule structure from a file).
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The current post-processing tools are suited for the Gradio interface.
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2. Continue the pipeline by adding
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3. Perform full simulation plans including loops over parameters fully automated by the LLM.
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# Contact
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# What's next?
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1. Expose additional tools to post-process the results of the simulations (ex: Plot images of the molecule structure from a file).
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The current post-processing tools are suited for the Gradio interface.
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2. Continue the pipeline by adding software like [OpenMM](https://openmm.org/) or [Gromacs](https://www.gromacs.org/) for molecular dynamics simulations.
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3. Perform full simulation plans including loops over parameters fully automated by the LLM.
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# Contact
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introduction_page.md
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</div>
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<small>For a peptide, use `protein` as the molecule type.</small>
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**Other
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<div style="background-color:#ffffff; border-radius:8px; padding:18px 24px; margin-bottom:24px; border:1px solid #cccccc;">
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```fasta
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPDLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAINQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPDRAKRVITTFRTGTWDAYKNL
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```
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```fasta
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>rna|Chain B
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UUAGGCGGCCACAGCGGUGGGGUUGCCUCCCGUACCCAUCCCGAACACGGAAGAUAAGCCCACCAGCGUUCCGGGGAGUACUGGAGUGCGCGAGCCUCUGGGAAACCCGGUUCGCCGCCACC
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPDLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAINQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPDRAKRVITTFRTGTWDAYKNL
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```
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</div>
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### 3. <span style="color:#e98935;">Select your config and FASTA files</span>
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</div>
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<small>For a peptide, use `protein` as the molecule type.</small>
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**Other example:**
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<div style="background-color:#ffffff; border-radius:8px; padding:18px 24px; margin-bottom:24px; border:1px solid #cccccc;">
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```fasta
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPDLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAINQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPDRAKRVITTFRTGTWDAYKNL
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```
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</div>
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### 3. <span style="color:#e98935;">Select your config and FASTA files</span>
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