prepare chemcaption templates

data/tabular/chemcaption_fragments/meta.yaml

@@ -0,0 +1,45 @@
+---
+name: chemcaption_fragments
+description: |-
+    Checks if a given fragment is present in a molecule.
+targets:
+    - id: presence
+      description: flag indicating whether the fragment is present in the molecule
+      type: boolean
+identifiers:
+    - id: molecule
+      type: text
+      description: identifier of the molecule
+    - id: fragment
+      type: text
+      description: identifier of the fragment
+    - id: representation
+      type: text
+      description: representation type of the molecule
+license: MIT
+links:
+    - url: https://github.com/lamalab-org/chem-caption
+      description: software used to generate the data
+num_points: 143,517
+templates:
+    - |-
+      {#Question: |Q: !}Is the fragment {fragment#} present in the molecule with {representation#} {molecule#}?
+      {#Answer: |A: |!}{presence#yes &NULL}Yes{presence#no &NULL}No
+    - The fragment {fragment#} is {presence#not &NULL}present{presence#not &NULL}absent in the molecule with {representation#} {molecule#}.
+    - |-
+      Task: {#Answer a question about substructures|Answer a question about fragments!}
+      {#Question: |Q: !}Is the fragment {fragment#} present in the molecule with {representation#} {molecule#}?
+      {#Answer: |A: |!}{presence#yes &NULL}Yes{presence#no &NULL}No
+    - |-
+      User: Is the fragment {fragment#} present in the molecule with {representation#} {molecule#}?
+      Assistant: {presence#yes &NULL}Yes{presence#no &NULL}No
+    - |-
+      User: I have a question about the molecule with {representation#} {molecule#}.
+      Assistant: {#Sure, what is your question?|How can I help?|That sounds interesting, how can I help?|Interesting, how can I help?!}
+      User: Is the fragment {fragment#} present in the molecule?
+      Assistant: {presence#yes &NULL}Yes{presence#no &NULL}No
+    - |-
+      User: I want to know more about the molecule with {representation#} {molecule#}.
+      Assistant: {#Sure, what is your question?|How can I help?|That sounds interesting, how can I help?|Interesting, how can I help?!}
+      User: Is the fragment {fragment#} {#present in|[part of of|substructure of!} the molecule?
+      Assistant: {presence#yes &NULL}Yes{presence#no &NULL}No