Computational biotech consulting

You are about to spend real money on a number nobody audited.

Most computational drug-discovery results are not wrong because the science is hard. They are wrong because the model was never calibrated, the test set leaked, the “novel” chemotypes were pan-assay artifacts, or nobody ran a negative control. We find that out before it costs you a wet-lab budget or a term sheet.

Thirty minutes, no obligation. If you do not need us, we will tell you on the call.

What we do

Four ways we get hired.

Fixed scope, fixed fee, and a written deliverable you can hand to an investor or re-run yourself.

Validation & calibration audit

For teams about to bet on a model’s output

  • Seven adversarial gates: provenance, calibration, discrimination, negative controls, enrichment, blinded holdout, replication
  • PAINS and BRENK triage on your compound set, against a lipophilicity null model
  • A go / no-go read, in writing, with what the numbers do not support
from $2,500fixed scope How it works →

Pipeline & stack setup

For teams bringing screening in-house

  • Structure prediction and affinity heads, with a docking prefilter that earns its place
  • Batch orchestration, provenance, and a hard no-mock-data rule enforced in code
  • Calibrated thresholds and reproducible reports — plus the runbook to keep it honest
from $7,500scoped on the call How it works →

Server builds

For teams who need the iron, not a cloud bill

  • We scope the science requirement: workloads, memory ceiling, throughput, what it must not be under-specced for
  • Catalytic AI builds, racks and runs it — they built ours
  • You get a machine sized to the work, not to a sales target
scoping includedbuild quoted by Catalytic AI How it works →

Managed compute

For teams with a campaign and no cluster

  • Send the job spec; we run it on our GPU node and hand back results
  • Versioned engine, inputs and outputs, so the run can be reproduced
  • Screening campaigns, calibration runs, blinded holdouts, negative-control panels
from $30,000multi-target campaign How it works →

Why trust us with this

Because we publish our own failures.

Every number below is one we found in our own pipeline and retracted in public. A firm that audits its own claims this hard is the firm you want auditing someone else’s.

0.94 → 0.47

Our own CYP inhibition AUROC, once it was tested on chemistry the model had not effectively seen. We retracted the headline rather than keep selling it.

n=89

A pooled knockout result that passed — until we found the panel was contaminated. Retracted, and the labelling rule rewritten so nothing is ever inferred from a compound’s name.

0 of 7

Our own targets that currently clear our own adversarial gates. Not one. We could change that this afternoon by loosening them — but the gates are the product.

Read the full ledger →

The work, end to end

We took PARP1 from a raw PDB structure to a calibrated, decision-grade target card: discrimination AUC 0.9886 against an ECFP4 baseline of 0.8685, and 12 of 12 held-out actives clearing the calibrated threshold in a blinded test.

The part worth reading is the part that failed. Our pocket-knockout control came back inconclusive because it was underpowered, and we reported it that way instead of rounding it into a win. We also found no defensible novel lead in that campaign — so we did not claim one.

Read the PARP1 case study →

How an engagement runs

No discovery phase, no retainer, no surprises.

A call

Thirty minutes. You describe the decision; we tell you whether we can help and roughly what it takes.

A scoped proposal

Fixed fee, fixed deliverable, a date. If the scope is wrong, we would rather find out here than halfway through.

The work

Run against pre-registered criteria, so the verdict is written before the numbers exist and cannot drift to suit them.

A report you can re-run

Versioned engine, inputs and outputs. Your team — or your investor’s — can reproduce every number in it.

Bring us the number you are least sure about.

That is usually the one worth thirty minutes.

Book a 30-min call