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SO(3)-equivariant interatomic potential (MLIP) using per-edge SO(2) features
A cozy terminal clubhouse for computer people. Lofi, games, chat, artboard, and tech news, all via SSH.
Generative Pseudo-Force Field (GPFF) for molecular structure generation on QM9
Makes your AI agent think like the laziest senior dev in the room. The best code is the code you never wrote.
FourierD3 accelerated - software accompanying the manuscript
a model to learn qFit multi conformer dynamics with an invariant backbone
Functional JAX middleware using a compute Node abstraction
open-source python package for accessing and analyzing NMR data
ML-corrected density functional tight-binding method
Terra is a low-level system programming language that is embedded in and meta-programmed by the Lua programming language.
MARS: Machine-Learned Force Field Framework for Automated Conformational Sampling, Vibrational Spectroscopy, and Microsolvation
GPU programming is cost-model first: a live, measured GPGPU mini-course (RTX 6000 Ada) for architects & DB/systems folks. Every claim benchmarked in a hot-editable CUDA notebook.
Mixture-of-experts (MoE) training megakernel for NVL72s
Implicit Machine Learning Force Fields
diffraction image simulator from nanocrystals based on first-principles and absolute-scale scattering physics
Fourier-Integrator Molecular Dynamics (FIMD) for ASE: propagate a chosen vibrational band symplectically in the frequency domain.
Resources to learn llvm-ripple programming