enhance OpenFold 1.0.1 for standalone usage

[smoors]

(created using eb --new-pr)

• replace OpenMM dep with its CUDA variant
• add cmd line tools like run_pretrained_openfold.py
• add openfold and alphafold params
• add scripts directory
• add extension flash_attn for better performance

[smoors]

Test report by @smoors
FAILED
Build succeeded for 1 out of 2 (2 easyconfigs in total)
node403.hydra.os - Linux CentOS Linux 7.9.2009, x86_64, AMD EPYC 7282 16-Core Processor, 1 x NVIDIA NVIDIA A100-PCIE-40GB, 515.48.07, Python 3.6.8
See https://gist.github.com/c58dcac88d4b98313fdef787892777cc for a full test report.

[smoors]

Test report by @smoors
FAILED
Build succeeded for 1 out of 2 (2 easyconfigs in total)
node401.hydra.os - Linux CentOS Linux 7.9.2009, x86_64, AMD EPYC 7282 16-Core Processor, 1 x NVIDIA NVIDIA A100-PCIE-40GB, 515.48.07, Python 3.6.8
See https://gist.github.com/96789d13fb37aa818490f510f3e77154 for a full test report.

[smoors]

Test report by @smoors
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node250.hydra.os - Linux CentOS Linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz, 1 x NVIDIA Tesla P100-PCIE-16GB, 515.48.07, Python 3.6.8
See https://gist.github.com/b2cb36120e24aa4406441e098852ad78 for a full test report.

[smoors]

Test report by @smoors
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node403.hydra.os - Linux CentOS Linux 7.9.2009, x86_64, AMD EPYC 7282 16-Core Processor, 1 x NVIDIA NVIDIA A100-PCIE-40GB, 515.48.07, Python 3.6.8
See https://gist.github.com/1d33f0f7113504ce2efa430d02967f1b for a full test report.

[smoors]

the failing OpenCL tests for OpenMM were due to NVIDIA MPS service being run.
without MPS, all tests passed.

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3307.joltik.os - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), 1 x NVIDIA Tesla V100-SXM2-32GB, 525.60.13, Python 3.6.8
See https://gist.github.com/1efeac918a1f21c4e224f61f027db355 for a full test report.

[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3903.accelgor.os - Linux RHEL 8.6, x86_64, AMD EPYC 7413 24-Core Processor (zen3), 1 x NVIDIA NVIDIA A100-SXM4-80GB, 525.60.13, Python 3.6.8
See https://gist.github.com/646bb0b17baa97e4800d20087f497941 for a full test report.

[boegel]

Going in, thanks @smoors!