Update README.md
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README.md
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@@ -38,7 +38,7 @@ To run it, you will need to provide a reaction in the SMILE format
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(Simplified molecular-input line-entry system), which you can do online here: https://cactus.nci.nih.gov/chemical/structure.
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After converting each of the reaction components you should combine them in the following scheme: ```ReactantA.ReactantB>AgentA>ProductA.ProductB```<br/>
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Additionally
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e.g. for the carbonic anhydrase ```r2sO.COO>>HCOOO.[H+]</s>```
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or via this simple python script:
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(Simplified molecular-input line-entry system), which you can do online here: https://cactus.nci.nih.gov/chemical/structure.
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After converting each of the reaction components you should combine them in the following scheme: ```ReactantA.ReactantB>AgentA>ProductA.ProductB```<br/>
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Additionally, one should prepend the task suffix ```r2s``` and append the eos token ```</s>```
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e.g. for the carbonic anhydrase ```r2sO.COO>>HCOOO.[H+]</s>```
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or via this simple python script:
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