// open-source software
FlexAIDΔS
C++26 · Python · PyMOL
Entropy-driven molecular docking engine. GA conformational search, Voronoi contact function, torsional ENCoM entropy, dead-end-elimination pruning, GPU batch scoring. Apache 2.0.
Shannon
C++20 · Python
Entropy-collapse detector for frontier LLM agents. Same H = −Σ pᵢ log₂ pᵢ kernel that powers FlexAIDΔS binding — zero-shot deception & evaluation-awareness monitoring.
ClusterFuck
Swift · HealthKit · CareKit
Multi-platform Apple biofeedback. Real-time HRV entropy → Shannon Collapse Index across Watch, iPhone, TV, Vision Pro.
NRGsuite
Python · PyMOL
PyMOL plugin packaging the NRGlab docking toolchain for interactive use.
PoseBust
C++26
PoseBusters-compatible geometric pose validation — physical plausibility checks for docked ligands.
// research experience
Doctoral researcher
Fall 2017 — present
Najmanovich Research Group (NRGlab) · UdeM
Main author of FlexAIDΔS, Shannon, ClusterFuck and NRGsuite. 96.4% correct binding-mode recovery on Astex Diverse 85 without crystal coordinates; full ΔG = ΔH − TΔS scoring.
Lead programmer
2014 — present
Najmanovich Research Group (NRGlab)
Principal software architect for the lab — own the NRG docking toolchain end to end across its Sherbrooke and Montréal eras.
Open-source maintainer
2023 — present
Le Bonhomme Pharma · github.com/LeBonhommePharma
Founder of an open-science pharmacology lab shipping reproducible, Apache-2.0 docking and entropy tooling from Little Burgundy.
// education
Ph.D. — Pharmacology
Université de Montréal · Najmanovich Research Group
in progress
M.Sc. — Biochemistry
Université de Sherbrooke · NRGlab
conferred
B.Sc. — Structural Bioinformatics
Université Laval
conferred
// skills
Languages
C++26
C++20
Python
Swift
CMake
Domains
Molecular docking
Statistical mechanics
Free-energy scoring
Shannon entropy
HRV signal processing
Tools
PyMOL
OpenMP
CUDA/GPU
Git
HealthKit
// selected publications & awards
Gaudreault F, Morency L-P, Najmanovich RJ. NRGsuite: a PyMOL plugin for docking with FlexAID. Bioinformatics 31, 3856–3858 (2015).
Morency L-P, Gaudreault F, Najmanovich RJ. Applications of the NRGsuite and FlexAID in computational drug discovery. Methods Mol. Biol. (2018).
Médaille du Lieutenant-Gouverneur du Québec (bronze) · Cabinet du Lieutenant-gouverneur du Québec.
FRQ-NT doctoral research fellowship · Fonds de recherche du Québec — Nature et technologies.