12 projects
grace-runtime-rocm7
AMD GPU backend (ROCm 7) of grace-runtime: fused GRACE-1L/2L/3L Kokkos kernels for AMD Instinct GPUs
calphy
free energy calculation for python
grace-runtime-cuda12
NVIDIA GPU backend (CUDA 12) of grace-runtime: fused GRACE-1L/2L/3L Kokkos kernels for V100, RTX 20xx/30xx/40xx/50xx, A100/A30, L40S, H100/H200, B200/B300
grace-runtime-rocm6
AMD GPU backend (ROCm 6) of grace-runtime: fused GRACE-1L/2L/3L Kokkos kernels for MI210/MI250/MI250X and MI300A/MI300X
grace-runtime
Fast CPU and GPU inference of GRACE and PACE interatomic potentials with ASE, batching and TorchSim
python-ace
Python bindings, utilities for PACE and fitting code "pacemaker"
grace-runtime-rocm
AMD GPU backend (ROCm) of grace-runtime (placeholder)
grace-runtime-cuda13
NVIDIA GPU backend (CUDA 13) of grace-runtime (placeholder)
tensorpotential
Graph Atomic Cluster Expansion (GRACE)
amstools
Atomistic Modelling and Simulation tools for material properties by AMS department of ICAMS, Ruhr Univerisity Bochum
pyace-lite
Python bindings, utilities for PACE and fitting code "pacemaker"
structdbrest
REST API interface to atomistictools.org website
