Note that [CUDA 11](https://github.com/aiqm/torchani/issues/549) is still not supported yet.
## Install
In most cases, if `gcc` and `cuda` environment are well configured, runing the following command at `torchani` directory will install torchani and cuaev together.
- [ ] Force training (Need cuaev's second derivative)
## Benchmark
Benchmark of [torchani/tools/training-aev-benchmark.py](https://github.com/aiqm/torchani/tree/master/torchani/tools/training-aev-benchmark.py) on TITAN V:
Benchmark of [torchani/tools/training-aev-benchmark.py](https://github.com/aiqm/torchani/blob/master/tools/training-aev-benchmark.py) on TITAN V:
| ANI-1x dataset (Batchsize 2560) | Energy Training | Energy and Force Inference |