메뉴
Use this skill to compute compact DeepChem circular fingerprints from a small set of SMILES strings with the repo-managed DeepChem prefix. Do not use it for model training, docking, or large library screening.
Codex 또는 Claude로 설치 이 Prompt를 복사해 Codex, Claude 또는 다른 어시스턴트에 붙여 넣으면 Skill 페이지를 검토하고 설치를 진행할 수 있습니다.
SOC 직업 분류 기준
Use this skill to search the current ClinicalTrials.gov v2 API for condition or keyword matches when you need official clinical-study metadata. Do not use it for legacy API URLs or offline work.
Use this skill to resolve a gene symbol to Ensembl IDs and fetch a canonical Ensembl gene record. Do not use it for full transcript annotation pipelines or offline work.
Use this skill to search NCBI Gene by symbol and organism, then fetch compact official Entrez Gene summaries. Do not use it for variant interpretation, transcript-level modeling, or bulk offline annotation.
Use this skill to author and run a minimal Common Workflow Language CommandLineTool and one-step workflow with cwltool. Do not use it for containerized production execution or complex scatter/gather workflows.
Use this skill to run a minimal Nextflow workflow through the repo-managed Java and Nextflow prefix, either locally or on the Slurm cluster. Do not use it for containerized production pipelines.
Use this skill to verify the repo-managed nf-core tools install and retrieve a cleaned summary of available pipelines. Do not use it for interactive launch flows or full pipeline downloads.
| name | deepchem-circular-featurization |
| description | Use this skill to compute compact DeepChem circular fingerprints from a small set of SMILES strings with the repo-managed DeepChem prefix. Do not use it for model training, docking, or large library screening. |
Turn one or more SMILES strings into deterministic DeepChem CircularFingerprint summaries without requiring TensorFlow or PyTorch.
--smiles arguments, or no arguments to use the bundled aspirin/caffeine example--size, --radius, and --outcanonical_smiles, bit_vector, on_bits, and on_bit_count for each moleculeslurm/envs/deepchemslurm/envs/deepchem/bin/python skills/drug-discovery-and-cheminformatics/deepchem-circular-featurization/scripts/compute_circular_fingerprints.py --out skills/drug-discovery-and-cheminformatics/deepchem-circular-featurization/assets/aspirin_caffeine_fingerprints.json.size, radius, and each molecule's canonical_smiles, bit_vector, and on_bits.slurm/envs/deepchem/bin/python.slurm/envs/deepchem/bin/python.rdkit-molecular-descriptors