PhysNet | Code for training PhysNet models | Machine Learning library
kandi X-RAY | PhysNet Summary
kandi X-RAY | PhysNet Summary
Tensorflow implementation of PhysNet (see for details.
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Top functions reviewed by kandi - BETA
- Calculate the energy of the atomic properties
- R Computes the energy of a given atomic properties
- Compute the energy of atomic properties
- Compute atomic properties
- Calculate atomic properties
- Calculate the interatomic distances between the given indices
- Applies the given gradients to the gradients
- Calculate the shared shared variance
- Estimate the energy and forces
- Calculates the energy and forces
- Calculate energy and forces from a scaled atomic properties
- Stdev of force magnitude
- Calculate charges for atoms
- Calculate the mean energy of each atom in the training set
- Calculate the DPerA mean of the DperA
- Stdev of partial charge
- Stdev of energy peratom
- Returns the mean force magnitude per atom
- Softplus function
- Build a train op
- Run the loop
- Calculate the weighted averages
- Start the run thread
- Returns the next batch
- Calculate mean absolute error loss
- Create a tf Summary object from a dictionary
PhysNet Key Features
PhysNet Examples and Code Snippets
Community Discussions
Trending Discussions on PhysNet
QUESTION
I am working with seccomp BPF and need to set the jump values (jt
/jf
/k
) of a jump statement (conditional jump/jump always) as the value stored in the accumulator. Is this possible? I have a hunch that it is not, because the BPF verifier cannot check the jump values before loading the filter. If not, are there any workarounds?
ANSWER
Answered 2021-Jul-26 at 17:41No, BPF doesn't support indirect branch instructions. Neither cBPF as used in seccomp-bpf nor eBPF does.
In the case of cBPF, you can check this in the documentation. You will see that instructions are defined as:
QUESTION
I am trying to load my dataset and it was working before but all of the sudden this error started pooping up.
When I try to load it like this:
...ANSWER
Answered 2020-Nov-10 at 13:01This was a known issue (Issue#26998 and Issue#) caused by PR#20900. The problem happens because you're trying to load a file larger than 2GB, and it is specific to Windows in which "sizeof(long)=4
for both 32-bit and 64-system systems". This issue was fixed by PR#27069 and is only available in PyTorch 1.3+. Therefore, to fix this issue, please upgrade your PyTorch version.
Community Discussions, Code Snippets contain sources that include Stack Exchange Network
Vulnerabilities
No vulnerabilities reported
Install PhysNet
You can use PhysNet like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.
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