// Le Bonhomme Pharma — page sections. // ─── HERO ─── function Hero() { return (

Montréal · Petite-Bourgogne · Open Science

Le BonhommePharma

An independent lab building open-source computational chemistry — where drug binding is treated as what it physically is: a free-energy problem.

We ship the tools, the benchmarks, and the math in the open. No black boxes, no fabricated scores — every number traces back to a file you can read.

Explore FlexAID∆S Follow @BonhommePharma
ΔG = ΔH − TΔS
); } // ─── MANIFESTO ─── function Manifesto() { return (

// the thesis

Make Entropy Great Again.

Most docking engines score enthalpy and quietly ignore entropy — then wonder why the predicted pose is wrong. Binding isn't a contact-counting contest. It's thermodynamics: a ligand trades a vast, disordered conformational ensemble for one ordered bound state, and the cost of that order is −TΔS.

Le Bonhomme Pharma exists to put that term back where it belongs — at the center of the free-energy equation, computed from a full statistical-mechanics framework, validated against real calorimetry.

ΔG = ΔH − TΔS
); } // ─── WORK ─── function Work() { return (

// what we build

From the bench to the repository.

One shipping engine, and the open research that feeds it. Everything Apache-2.0, reproducible bit-for-bit.

Shipping · v2.0

FlexAID∆S

An entropy-driven molecular docking engine. Genetic-algorithm conformational search meets a full statistical-mechanics scoring stack — partition function, free energy, configurational entropy, Van't Hoff decomposition. Modernized FlexAID, rewritten in C++26 with Python bindings and GPU dispatch.

0.93
Pearson r · ITC-187
1.4
RMSE kcal/mol
92%
Binding-mode rescue
Open the product page → Research

tENCoM Flexibility

Torsional ENCoM — a normal-mode model that lets backbone and side-chain flexibility enter scoring without exploding the search space.

normal modes backbone
Open data

ITC-187 Benchmarks

An open, calorimetry-anchored benchmark suite. Same commit, same seed, same container → identical results. Receipts over claims.

ITC CASF-2016 reproducible
); } // ─── PRINCIPLES ─── function Principles() { const items = [ ["01", "teal", "Physics first", "Free energy, not heuristics. If a score can't be traced to ΔH and −TΔS, it doesn't ship."], ["02", "terra", "Open by default", "Apache-2.0 source, public benchmarks, readable math. Science you can't inspect isn't science."], ["03", "gold", "Reproducible", "Same commit, same seed → bit-for-bit identical results. No run is real until a file on disk proves it."], ["04", "teal", "Honest output", "We report what was computed and read — never an estimated number dressed up as a measurement."], ]; return (

// how we work

Four non-negotiables.
{items.map(([n, tint, h, p]) => (
{n}

{h}

{p}

 ))}
); } // ─── PLACE ─── function Place() { return (

// where

Built in Little Burgundy.

Le Bonhomme Pharma is an independent computational-chemistry lab in Montréal's Petite-Bourgogne — the neighbourhood the name nods to. Small, open, and unaffiliated, by design.

We'd rather publish a reproducible benchmark than a press release. The work lives on GitHub; the thinking lives on X. If it's good, it's open.

LocationMontréal · QC
FocusEntropy-aware docking
LicenseApache 2.0
FlagshipFlexAID∆S
StanceOpen science
); } // ─── CONNECT ─── function Connect() { return (

// connect

Read the source.

The engine, the posts, the papers — all in the open. Pick a door.
GitHub LeBonhommePharma/FlexAIDdS X / Twitter @BonhommePharma FlexAID∆S The docking engine
); } // ─── FOOTER ─── function Footer() { return ( ); } Object.assign(window, { Hero, Manifesto, Work, Principles, Place, Connect, Footer });