Inverse Design Python Packages

pen-stack

Open infrastructure for genome writing: the Writable Genome (learned safe+durable insertion-site atlas), the Writer Atlas of 33k genome-writing enzymes, an inverse-design Write Planner, and a bridge-recombinase off-target engine. Consolidates 5 prior repos. Pre-registered, blind-validated, single install.

beamz

GPU-accelerated electromagnetic FDTD for large-scale simulations, compact modeling and inverse design / gradient-based optimization of nanophotonic devices with Python.

torchoptics

Differentiable wave optics simulation library built on PyTorch

splayout

Silicon Photonics Design Tools.

torch-molecule

torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inverse design and representation learning.

pycharge

Electromagnetics simulation library for moving point charges built on JAX

difftmm

Differentiable Transfer-Matrix Method thin film solver.

canonical-sets

Exposing Algorithmic Bias with Canonical Sets.

glas

Genetic Lookup for Apt Substances

mst-topopt

Topology optimization (TopOpt) framework based on the Maxwell stress tensor (MST) formalism to optimize for optical force-dependent figures of merit.

katmer

katmer is a powerful library for optimizing the design of optical thin films using automatic differentiation via JAX and Equinox, enabling efficient and accurate inverse design solutions.

pychargess

Electromagnetics simulation library for moving point charges built on JAX