gRNAde: Geometric Deep Learning for 3D RNA inverse design

[NeurIPS 2020] Diversity-Guided Efficient Multi-Objective Optimization With Batch Evaluations

A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

Optimization and inverse design of photonic crystals using deep reinforcement learning

This repository hosts a simple demonstration of a deep learning approach for the inverse design of patch antennas. The goal is to explore energy-efficient designs and to significantly reduce simulation cost compared to conventional methods.

Silicon Photonics Design Tools.

A collection of inverse design challenges

PcDGAN: A Continuous Conditional Diverse Generative Adversarial Network For Inverse Design

[ICLR24] CinDM uses compositional generative models to design boundaries and initial states significantly more complex than the ones seen in training for physical simulation

Efficient GPU-computing simulation for differentiable crystal plasticity finite element method

Differentiable Flexible Mechanical Metamaterials

Simple GUI for PROFOIL

Simulation and Optimization Library for Integrated Optics in Julia.

IDToolkit: A Toolkit for Benchmarking and Developing Inverse Design Algorithms in Nanophotonics, KDD'23

Mapping properties to molecules in QM7-X

Exposing Algorithmic Bias with Canonical Sets

Genetic Lookup for Apt Substances

BC-Design: A Biochemistry-Aware Framework for High-Precision Inverse Protein Folding

Inverse Design of PIC devices for generating coherent optical lattice in a 2D slab region.