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Chemistry

Molecular modeling and reactions.

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computational-chemistry
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validation-suite

Full simulation validation workflow. Run comprehensive checks comparing simulation output to NFL statistical targets across all categories.

merciless-creations
merciless-creations
research
open
computational-chemistry
0

ehr-advantage-designer

当社EHR-RWDの強み(経過記録テキスト、臨床サマリー、検査値)を最大限活用する 研究デザインを設計する。クレームDB(JMDC/MDV)では不可能な研究要素を具体化。

tito-gh
tito-gh
research
open
computational-chemistry
0

visual-predictive-checks

Guidelines for visual predictive checks following Säilynoja et al. recommendations using ArviZ

sunxd3
sunxd3
research
open
computational-chemistry
0

lucy-ngdereplicate

Dereplication only - match observed 13C shifts against reference databases to identify known compounds. Use for quick checks if a compound is already known before deciding whether full CASE is needed.

steinbeck
steinbeck
research
open
computational-chemistry
0

clinical-trial-safety

Support clinical trial safety planning using FDA adverse event data. Use when users ask about safety monitoring plans, protocol safety sections, comparator drug safety, or special population considerations for clinical trials.

sine-ai
sine-ai
research
open
computational-chemistry
0

ahu-thermal

Coil Selection & Thermal Design Agent

toneron2
toneron2
research
open
computational-chemistry
0

petase-20242025-literature-scan

Use PubMed & Scholar Gateway to extract PETase (and PET hydrolase) variants and effects from 2024–2025 papers into a standardized table with citations.

thc1006
thc1006
research
open
computational-chemistry
0

quick-screen

Perform rapid initial screening using only sanctions, PEP, and adverse media checks for quick risk assessment

babdulhakim2
babdulhakim2
research
open
computational-chemistry
0

volcanic-check

Check if a speleothem anomaly correlates with volcanic eruptions. Use when ruling out volcanic false positives, checking eVolv2k/VSSI records, or validating seismic interpretations. Triggers on "volcanic check", "eruption correlation", "rule out volcanic", "eVolv2k".

DrSatsuma1
DrSatsuma1
research
open
computational-chemistry
0

trust-rl-model-predictions

Remove pattern filters that second-guess RL model predictions. Trigger when: (1) signals show past threshold but status is HOLD, (2) pattern filter blocks model signals, (3) external gates contradict trained model, (4) dashboard shows disconnect between signal strength and action.

smith6jt-cop
smith6jt-cop
research
open
computational-chemistry
0

sail-membrane-numerics

Expert guidance for nautical sail (vela) membranes and thin-structure modeling with numerical stabilization. Use for questions about unstable or divergent computations, nonlinear solve failures, time integration instability, conditioning or preconditioning, contact/constraints, or FSI issues in tensioned membrane or thin-shell structures for sails and rigging.

JPsnipe
JPsnipe
research
open
computational-chemistry
0

qfai-verify

QFAI: Run quality gates and produce evidence

aganesy
aganesy
research
open
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