Unverified Commit 269344b4 authored by Jinze Xue's avatar Jinze Xue Committed by GitHub
Browse files

Update README.md (#569)

parent 01d2318d
......@@ -8,6 +8,7 @@ If you you use conda, you could install it by
```
conda install pytorch torchvision torchaudio cudatoolkit={YOUR_CUDA_VERSION} -c pytorch-nightly
```
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.
......@@ -47,7 +48,7 @@ cuaev_computer = torchani.AEVComputer(Rcr, Rca, EtaR, ShfR, EtaA, Zeta, ShfA, Sh
- [ ] 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 |
|---------------------------------|-------------------------|-----------------------------------|
......@@ -66,4 +67,4 @@ benchmark
```
python tools/training-aev-benchmark.py download/dataset/ani-1x/sample.h5
python tools/aev-benchmark-size.py
```
\ No newline at end of file
```
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