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computational-chemistryresearch

text-based-molecule-editing

Modify molecules based on natural language descriptions using MolT5/BioT5 models. Use this skill when: (1) User wants to modify a molecule to improve specific properties (solubility, potency, etc.), (2) User provides a molecule and asks to "make it more X" or "improve Y", (3) User wants to generate molecule variants guided by text descriptions. Triggers on phrases like "modify this molecule", "edit the molecule", "make it more soluble", "improve drug-likeness", "change the molecule to", "optimize this compound".

PharMolix
maintainer
PharMolix
Updated 3/19/2026
Stars
1036
Forks
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quick start

Installation and usage

Modify molecules based on natural language descriptions using MolT5/BioT5 models. Use this skill when: (1) User wants to modify a molecule to improve specific properties (solubility, potency, etc.), (2) User provides a molecule and asks to "make it more X" or "improve Y", (3) User wants to generate molecule variants guided by text descriptions. Triggers on phrases like "modify this molecule", "edit the molecule", "make it more soluble", "improve drug-likeness", "change the molecule to", "optimize this compound".

Installation
$ install --globalskills.sh
Usage

Once installed, you can use this skill by running the following command in your terminal:

skills use text-based-molecule-editing