Pharma & drug discovery agent skills
155 skills in Pharma & drug discovery.
Top skills
- Boltz2 Nim Use Boltz2 NIM for biomolecular structure prediction and binding affinity.
- Diffdock Nim Run DiffDock molecular docking via NVIDIA NIM to predict small-molecule binding poses against pro…
- Drug Discovery Pipeline NOTE: molecule and target inputs and your NGC_API_KEY are transmitted to external NVIDIA-hosted A…
- Genmol Nim Generate novel drug-like molecules using the GenMol NIM microservice.
- Kermt Add Cmim Pretrain Convert a grover_base checkpoint (encoder-only or encoder + vocab heads) into a hybrid checkpoint…
- Kermt Continue Pretrain Continue KERMT pretraining on a custom SMILES corpus with a grover_base, cmim, or hybrid checkpoint.
- Kermt Embed Extract per-molecule embeddings from any encoder-bearing KERMT checkpoint.
- Kermt Finetune Finetune a pretrained KERMT encoder on a labeled CSV.
- Kermt Infer Run predictions with a finetuned KERMT checkpoint on a SMILES-only CSV.
- Kermt Pretrain Scratch Pretrain a fresh KERMT model from scratch on a user-provided corpus.
- Molmim Nim Use this skill for MolMIM, NVIDIA's BioNeMo NIM microservice for small-molecule latent-space gene…
- Proteinmpnn Nim Run ProteinMPNN inverse folding via NVIDIA NIM to design protein sequences for a target backbone.
- Clinical Research Use when designing a prospective clinical study before submission — selecting and classifying end…
- Adaptyv Cloud laboratory platform for automated protein testing and validation.
- Benchling Integration Benchling R&D platform integration.
- Chembl Database Query ChEMBL's bioactive molecules and drug discovery data.
- Clinicaltrials Database Query ClinicalTrials.gov via API v2.
- Datamol Pythonic wrapper around RDKit with simplified interface and sensible defaults.
- Deepchem Molecular machine learning toolkit.
- Diffdock Diffusion-based molecular docking.
- Drugbank Database Access and analyze comprehensive drug information from the DrugBank database including drug prope…
- Fda Database Query openFDA API for drugs, devices, adverse events, recalls, regulatory submissions (510k, PMA)…
- Medchem Medicinal chemistry filters.
- Opentargets Database Query Open Targets Platform for target-disease associations, drug target discovery, tractability/…