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Load pretrained PyTorch model checkpoints to rank candidate molecules or score spectra in metabolomics without retraining.
This skill enables an agent to perform frozen inference using pretrained neural network weights. It is specifically tailored for scientific use cases like ranking candidate molecules using JESTR weights for the NPLIB1 dataset.
Use this skill when you have a .pt or .pth PyTorch checkpoint and need to apply it to a target dataset for scoring or ranking without modifying the model parameters.
Suitable for scientific AI agents operating in GPU-enabled environments (Linux/CUDA) that can run Python scripts and manage conda environments.
This skill has not been reviewed by our automated audit pipeline yet.
Seq Wrangler
Sequence data QC, trimming, alignment, and BAM processing pipeline helper — wraps FastQC, fastp/Trimmomatic, BWA/Bowtie2/Minimap2, and SAMtools for automated re
ToolUniverse Gateway
Unified agent gateway to 1000+ scientific tools (bioinformatics, drug discovery, genomics) via Harvard's ToolUniverse, returning JSON for downstream workflows.
MatchMS (mass spectrometry processing)
Mass spectrometry data processing: import/export mzML/MGF/MSP, filter and normalize spectra, compute spectral similarity (cosine/modified cosine), and build rep
QwenCloud Model Selector
Advisory skill that recommends the best QwenCloud model and parameters for a task, balancing quality, speed, and cost.
Terradev — Cross‑Cloud GPU Provisioning
Provision and manage GPUs across clouds, create GPU Kubernetes clusters, deploy inference endpoints, and burst local compute to cloud with BYOAPI credential saf
matchms — Mass Spectrometry Processing
Python library skill for importing, filtering, and comparing mass spectra (mzML/MGF/MSP); builds reproducible preprocessing pipelines and computes spectral simi
MatchMS — Mass Spectrometry Utilities
Import, process and compare mass spectrometry spectra (mzML/MGF/MSP) with filters, similarity metrics and reproducible pipelines for metabolomics workflows.
KEGG Pathway Enrichment (clusterProfiler)
Run KEGG pathway and module enrichment using clusterProfiler (enrichKEGG/enrichMKEGG) to find metabolic and signaling pathways over-represented in a gene list.