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This is the official implementation of our publication "Deep learning enables fast and dense single-molecule localization with high accuracy" (Nature Methods)

Keras Neural Graph Fingerprint ⭐ 41

Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

Moldqn Pytorch ⭐ 40

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

RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.

An open source GPU-enabled Monte Carlo program (MCGPU) that aims to routinely simulate chemical systems containing thousands to potentially millions of atoms.

Zernike Optimized Localization Algorithm for 3D single molecule localizations

Quarantineathome ⭐ 12

quarantine@Home

Single molecule density estimation by fully convolutional neural networks

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