In Silico Python Packages

brain-indexer

Create indexes of simple shapes and find all indexed elements that intersect with a query region.

pypef

PyPEF – Pythonic Protein Engineering Framework

cellsim

Physics-first, uncertainty-honest in-silico cell and drug-response simulator (Python). Validated docking/ADMET input layer (Vina, OpenFF, xTB), cell-level PK/PD modules, and a cell/colony engine under construction toward a validated interactive dish.

functionalizer

Create a functional connectome from physical connections between cells

overreact

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

insidapy

In-silico data generation package. Easy and consistent generation of example data for chemical/biochemical reaction case studies.

zer0pa-materials-workbench

CPU-verified in silico materials research control plane. Battery + thermoelectric pipeline staged for H100 GPU evidence campaign. Research infrastructure, not a discovery engine.