S-Thaler

AlphaPulldown

difftre

Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

jax-dimenet

Jax / Haiku implementation of DimeNet++.

jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

jax-sgmc

Stochastic Gradient MCMC for Jax

openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

difftre

Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

jax-dimenet

Jax / Haiku implementation of DimeNet++.

jax-sgmc

Stochastic Gradient MCMC for Jax

S-Thaler/openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

S-Thaler/AlphaPulldown

S-Thaler/difftre

Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

S-Thaler/jax-dimenet

Jax / Haiku implementation of DimeNet++.

S-Thaler/jax-md

Differentiable, Hardware Accelerated, Molecular Dynamics

S-Thaler/jax-sgmc

Stochastic Gradient MCMC for Jax

S-Thaler/openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

S-Thaler/S-Thaler

S-Thaler/SITE

Sparse Identification of Truncation Errors (SITE) for Data-Driven Discovery of Modified Differential Equations