Generate small molecules around a seed SMILES
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Generate small molecules around a seed SMILES
with NVIDIA NIM · Model Inference
Use NVIDIA NIM: its NVIDIA NIM (BioNeMo) ASR Biology API lets you generate small molecules around a seed SMILES in a single step (POST /v1/biology/nvidia/molmim/generate). capabilities.work can help you get signed up and connected.
- Can I generate new drug-like molecules similar to a seed SMILES string with MolMIM?
- Is there a way to optimize generated molecules toward a property while keeping a minimum similarity to the seed?
- How many candidate molecules can a single MolMIM generation request return?
Say it to your AI assistant
- Generate new small molecules similar to the seed SMILES {smi}.
- Generate {num_molecules} molecules from seed {smi} using the {algorithm} algorithm.
- Optimize molecules from {smi} for {property_name}, keeping similarity to the seed above {min_similarity}.
For your developer
POST /v1/biology/nvidia/molmim/generate in NVIDIA NIM (BioNeMo) ASR Biology API. Full spec on APIs.io.