home/categories/computational-chemistry
category focus

Chemistry

Molecular modeling and reactions.

1308 skillsall categories
sorting
stars
current ordering strategy
query
all entries
refine the visible subset
computational-chemistry
58

plutonium-definition

Use BEFORE editing a resource definition — adding fields, inputs, displays, columns, search, filters, scopes, custom actions, or bulk actions.

radioactive-labs
radioactive-labs
research
open
computational-chemistry
58

plutonium-model

Use BEFORE editing a Plutonium resource model, adding associations, has_cents, SGID, or routing helpers. For tenancy / associated_with / relation_scope, also load plutonium-entity-scoping.

radioactive-labs
radioactive-labs
research
open
computational-chemistry
58

privacy-scrub

PII removal for brain knowledge contributions

statsclaw
statsclaw
research
open
computational-chemistry
58

matlab-digital-filter-design

Designs and validates digital filters in MATLAB. Use when cleaning up noisy signals, removing interference, filtering signals, designing FIR/IIR filters (lowpass/highpass/bandpass/bandstop/notch), or comparing filters in Filter Analyzer.

matlab
matlab
research
open
computational-chemistry
57

lean-uint-bitvec

Use when Lean 4 proofs involve UInt8/UInt16/UInt32/BitVec conversions, bv_decide, or bridging between numeric types and Nat.

kim-em
kim-em
research
open
computational-chemistry
57

lean-simp-tactics

Use when simp only fails unexpectedly in Lean 4, or when dealing with Bool vs Prop conditions, filter+lambda, let bindings in omega, linter false positives, or hypothesis normalization mismatches.

kim-em
kim-em
research
open
computational-chemistry
53

clinical-trial-analysis

Patterns for designing and analyzing clinical trials, including survival analysis, endpoint selection, sample size calculation, interim analyses, and regulatory considerations. Covers FDA/EMA guidelines and modern adaptive designs. Use when ", " mentioned.

omer-metin
omer-metin
research
open
computational-chemistry
53

hivemind-architect-strategist

Core skill for the hiveminder agent. Provides scanning, analysis, and synthesis capabilities for architecture review and strategic planning. Research-fronted and evidence-oriented approaches for high-quality decision making.

shynlee04
shynlee04
research
open
computational-chemistry
53

drug-discovery-informatics

Patterns for computer-aided drug discovery including virtual screening, molecular docking, ADMET prediction, lead optimization, and integration with AI/ML methods. Covers both structure-based and ligand-based approaches. Use when ", " mentioned.

omer-metin
omer-metin
research
open
computational-chemistry
52

mind-clone

Activate a Cognitive Digital Twin. Can simulate a custom subject (via core/ directory) OR load pre-installed celebrity/expert personas (from personas/ directory).

yzfly
yzfly
research
open
computational-chemistry
51

plutonium-resource

Overview of Plutonium resources - what they are and how the pieces fit together

radioactive-labs
radioactive-labs
research
open
computational-chemistry
51

plutonium-model-features

Plutonium model features - has_cents, associations, scopes, and routing

radioactive-labs
radioactive-labs
research
open
computational-chemistry
50

pharma-ml-tools

Pharmaceutical machine-learning workflow guide for library profiling, molecular featurization, benchmark dataset fetch, medicinal-chemistry filtering, and optional pose-generation handoff. Use when the user asks for datamol, molfeat, PyTDC, medchem, compound-library triage, dataset preparation, or chemistry-ML baselines beyond simple descriptor calculation.

DrugClaw
DrugClaw
research
open
computational-chemistry
50

chem-tools

Computational chemistry workflow guide for DeepChem, PySCF, RDKit, assay-table normalization, PDBbind-style structure datasets, QSAR and structure benchmarks, DrugBank lookup, ligand-only and structure-aware affinity prediction, ADMET triage, bioactivity prediction, virtual screening, and docking follow-up.

DrugClaw
DrugClaw
research
open
computational-chemistry
50

prompt-injection-guard

Detects and intercepts prompt injection attempts in external content before the agent acts on them

ArchieIndian
ArchieIndian
research
open
computational-chemistry
49

zndraw

Use when interacting with a ZnDraw molecular visualization server — reading frames, navigating trajectories, selecting atoms, bookmarking, creating plots, running extensions, or performing computational chemistry analysis on atomic structures

zincware
zincware
research
open
computational-chemistry
48

marijuana

Marijuana mode — distracted, tangential, paranoid at high doses. Doses: puff, blunt, edible

nich2533
nich2533
research
open
computational-chemistry
48

marijuana

Marijuana mode — distracted, tangential, paranoid at high doses. Doses: puff, blunt, edible

nich2533
nich2533
research
open
computational-chemistry
48

adderall

Adderall mode — obsessive hyperfocus, over-engineered perfection. Doses: prescribed, cramming, wired

nich2533
nich2533
research
open
computational-chemistry
48

cocaine

Cocaine mode — aggressive, fast, supremely confident. Doses: bump, line, binge

nich2533
nich2533
research
open
computational-chemistry
48

ketamine

Ketamine mode — dissociated, abstract, detached from reality. Doses: wonky, hole, void

nich2533
nich2533
research
open
computational-chemistry
48

lsd

LSD mode — see interconnected patterns in everything. Doses: hit, party, trip

nich2533
nich2533
research
open
computational-chemistry
48

nitrous

Nitrous mode — brief euphoria, giggly, vanishing epiphanies. Doses: balloon, tank, orbit

nich2533
nich2533
research
open
computational-chemistry
48

adderall

Adderall mode — obsessive hyperfocus, over-engineered perfection. Doses: prescribed, cramming, wired

nich2533
nich2533
research
open
Previous
Page 38 / 55
Next