zachwe · zachwe · Jun 24, 2022 · Jun 24, 2022 · Jun 24, 2022 · Jun 24, 2022
diff --git a/.github/workflows/cla.yml b/.github/workflows/cla.yml
@@ -0,0 +1,29 @@
+name: "DCO Assistant"
+on:
+  issue_comment:
+    types: [created]
+  pull_request_target:
+    types: [opened,closed,synchronize]
+
+permissions:
+  actions: write
+  contents: write
+  pull-requests: write
+  statuses: write
+
+jobs:
+  DCOAssistant:
+    runs-on: ubuntu-latest
+    steps:
+      - name: "DCO Assistant"
+        if: (github.event.comment.body == 'recheck' || github.event.comment.body == 'I have read the DCO Document and I hereby sign the DCO') || github.event_name == 'pull_request_target'
+        uses: contributor-assistant/github-action@v2.3.0
+        env:
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+        with:
+          path-to-signatures: '.github/dco/signatures.json'
+          path-to-document: 'https://developercertificate.org/'
+          branch: 'dco-do-not-remove'
+          allowlist: user1,bot*
+          use-dco-flag: true
+          custom-notsigned-prcomment: '<br/>Thank you for your submission. Before we can accept your contribution, please sign our [Developer Certificate of Origin](https://developercertificate.org) by posting a comment with the content exactly as below.<br/>'
diff --git a/CUDA-Optimized/FastSpeech/README.md b/CUDA-Optimized/FastSpeech/README.md
@@ -315,6 +315,8 @@ Sample result waveforms are [FP32](fastspeech/trt/samples) and [FP16](fastspeech
 
 ## Performance
 
+The performance measurements in this document were conducted at the time of publication and may not reflect the performance achieved from NVIDIA’s latest software release. For the most up-to-date performance measurements, go to [NVIDIA Data Center Deep Learning Product Performance](https://developer.nvidia.com/deep-learning-performance-training-inference).
+
 ### Benchmarking
 
 The following section shows how to run benchmarks measuring the model performance in training and inference modes.

diff --git a/DGLPyTorch/DrugDiscovery/SE3Transformer/.dockerignore b/DGLPyTorch/DrugDiscovery/SE3Transformer/.dockerignore
@@ -0,0 +1,123 @@
+.Trash-0
+.git
+data/
+.DS_Store
+*wandb/
+*.pt
+*.swp
+
+# added by FAFU
+.idea/
+cache/
+downloaded/
+*.lprof
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+.hypothesis/
+.pytest_cache/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# pyenv
+.python-version
+
+# celery beat schedule file
+celerybeat-schedule
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+
+**/benchmark
+**/results
+*.pkl
+*.log
diff --git a/DGLPyTorch/DrugDiscovery/SE3Transformer/.gitignore b/DGLPyTorch/DrugDiscovery/SE3Transformer/.gitignore
@@ -0,0 +1,121 @@
+data/
+.DS_Store
+*wandb/
+*.pt
+*.swp
+
+# added by FAFU
+.idea/
+cache/
+downloaded/
+*.lprof
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+.hypothesis/
+.pytest_cache/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# pyenv
+.python-version
+
+# celery beat schedule file
+celerybeat-schedule
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+
+**/benchmark
+**/results
+*.pkl
+*.log
diff --git a/DGLPyTorch/DrugDiscovery/SE3Transformer/Dockerfile b/DGLPyTorch/DrugDiscovery/SE3Transformer/Dockerfile
@@ -0,0 +1,67 @@
+# Copyright (c) 2021, NVIDIA CORPORATION & AFFILIATES. All rights reserved.
+#
+# Permission is hereby granted, free of charge, to any person obtaining a
+# copy of this software and associated documentation files (the "Software"),
+# to deal in the Software without restriction, including without limitation
+# the rights to use, copy, modify, merge, publish, distribute, sublicense,
+# and/or sell copies of the Software, and to permit persons to whom the
+# Software is furnished to do so, subject to the following conditions:
+#
+# The above copyright notice and this permission notice shall be included in
+# all copies or substantial portions of the Software.
+#
+# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+# IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+# FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
+# THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+# LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
+# FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
+# DEALINGS IN THE SOFTWARE.
+#
+# SPDX-FileCopyrightText: Copyright (c) 2021 NVIDIA CORPORATION & AFFILIATES
+# SPDX-License-Identifier: MIT
+
+# run docker daemon with --default-runtime=nvidia for GPU detection during build
+# multistage build for DGL with CUDA and FP16
+
+ARG FROM_IMAGE_NAME=nvcr.io/nvidia/pytorch:23.01-py3
+
+FROM ${FROM_IMAGE_NAME} AS dgl_builder
+
+ENV DEBIAN_FRONTEND=noninteractive
+RUN apt-get update \
+    && apt-get install -y git build-essential python3-dev make cmake \
+    && rm -rf /var/lib/apt/lists/*
+WORKDIR /dgl
+RUN git clone --branch 1.0.0 --recurse-submodules --depth 1 https://github.com/dmlc/dgl.git .
+WORKDIR build
+RUN export NCCL_ROOT=/usr \
+    && cmake .. -GNinja -DCMAKE_BUILD_TYPE=Release \
+        -DUSE_CUDA=ON -DCUDA_ARCH_BIN="60 70 80" -DCUDA_ARCH_PTX="80" \
+        -DCUDA_ARCH_NAME="Manual" \
+        -DUSE_FP16=ON \
+        -DBUILD_TORCH=ON \
+        -DUSE_NCCL=ON \
+        -DUSE_SYSTEM_NCCL=ON \
+        -DBUILD_WITH_SHARED_NCCL=ON \
+        -DUSE_AVX=ON \
+    && cmake --build .
+
+
+FROM ${FROM_IMAGE_NAME}
+
+WORKDIR /workspace/se3-transformer
+
+# copy built DGL and install it
+COPY --from=dgl_builder /dgl ./dgl
+RUN cd dgl/python && python setup.py install && cd ../.. && rm -rf dgl
+
+ADD requirements.txt .
+RUN pip install --no-cache-dir --upgrade --pre pip
+RUN pip install --no-cache-dir -r requirements.txt
+ADD . .
+
+ENV DGLBACKEND=pytorch
+ENV OMP_NUM_THREADS=1
+
+
diff --git a/DGLPyTorch/DrugDiscovery/SE3Transformer/LICENSE b/DGLPyTorch/DrugDiscovery/SE3Transformer/LICENSE
@@ -0,0 +1,7 @@
+Copyright 2021-2022 NVIDIA CORPORATION & AFFILIATES
+
+Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
diff --git a/DGLPyTorch/DrugDiscovery/SE3Transformer/NOTICE b/DGLPyTorch/DrugDiscovery/SE3Transformer/NOTICE
@@ -0,0 +1,8 @@
+
+SE(3)-Transformer PyTorch
+
+This repository includes software from https://github.com/FabianFuchsML/se3-transformer-public
+licensed under the MIT License.
+
+This repository includes software from https://github.com/lucidrains/se3-transformer-pytorch
+licensed under the MIT License.