nequip | NequIP is a code for building E -equivariant | Machine Learning library

 by   mir-group Python Version: 0.6.0 License: MIT

kandi X-RAY | nequip Summary

kandi X-RAY | nequip Summary

nequip is a Python library typically used in Artificial Intelligence, Machine Learning, Deep Learning, Pytorch applications. nequip has no bugs, it has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. You can install using 'pip install nequip' or download it from GitHub, PyPI.

NequIP is an open-source code for building E(3)-equivariant interatomic potentials.
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              nequip has a low active ecosystem.
              It has 383 star(s) with 84 fork(s). There are 18 watchers for this library.
              There were 1 major release(s) in the last 6 months.
              There are 10 open issues and 44 have been closed. On average issues are closed in 66 days. There are 3 open pull requests and 0 closed requests.
              It has a neutral sentiment in the developer community.
              The latest version of nequip is 0.6.0

            kandi-Quality Quality

              nequip has no bugs reported.

            kandi-Security Security

              nequip has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

            kandi-License License

              nequip is licensed under the MIT License. This license is Permissive.
              Permissive licenses have the least restrictions, and you can use them in most projects.

            kandi-Reuse Reuse

              nequip releases are available to install and integrate.
              Deployable package is available in PyPI.
              Build file is available. You can build the component from source.
              Installation instructions, examples and code snippets are available.

            Top functions reviewed by kandi - BETA

            kandi has reviewed nequip and discovered the below as its top functions. This is intended to give you an instant insight into nequip implemented functionality, and help decide if they suit your requirements.
            • Compute the statistics for the given fields .
            • Instantiates a builder .
            • Resize per species .
            • Convert to ASE .
            • Create a graph from data_list .
            • Calculate neighbor list and relative vector .
            • Debugging for debugging .
            • Rescale model .
            • Set the training and validation dataset .
            • Create a model from a config dictionary .
            Get all kandi verified functions for this library.

            nequip Key Features

            No Key Features are available at this moment for nequip.

            nequip Examples and Code Snippets

            No Code Snippets are available at this moment for nequip.

            Community Discussions

            QUESTION

            re.findall() was working but now isn't finding the pattern I need
            Asked 2020-May-28 at 22:04

            To preface I am working in Python 3.8.3 on windows 10 and using slate3k to parse through my pdf

            I am working on a python program that will parse through a PDF and spit out a certain pattern and make a csv file for me.

            However, when I try find the pattern with the parsed text, I am getting nothing.

            I've taken an example of some parsed text and assigned it to parsed

            ...

            ANSWER

            Answered 2020-May-28 at 21:53

            You had an extra minus - symbol

            Source https://stackoverflow.com/questions/62074897

            QUESTION

            MVC Dropdownlistfor returns null selected value
            Asked 2019-Jul-11 at 09:56

            Similar to this question and a lot of others, I'm not able to retrieve the selected value from my @Html.Dropdownlistfor. But I think I avoided usual errors so I'm not sure what I'm doing wrong. Here is my Controller :

            ...

            ANSWER

            Answered 2019-Jul-11 at 09:56

            Try to specify the Text and Value fields like this:

            @Html.DropDownListFor(model => model.a_NEquipe, Model.EquipesTravaux.Select(x => new SelectListItem { Text = x.TRAV_SEQ, Value = x.TRAV_CODE }), new { @class = "form-control"})

            Source https://stackoverflow.com/questions/56984470

            QUESTION

            Extracting substring from PDF raw text using regex
            Asked 2019-Jun-03 at 03:22

            I was trying to extract the subsection that has the roman indexing from a pdf document.

            For instance this is one section of the document,

            \n1.1\n \nSCOPE\n \nThis PTS specifies the\n \nrequirements \nand recommendations for Classification, Verification \n\nFunct\nions.\n \nThe scope includes the following:\n \ni.\n \nSemi\n-\nquantitative SIL classification\n \nii.\n \nSpurious trip analysis\n \niii.\n \nProbabilistic and architectural SIL verification\n \niv.\n \nRecommendations\n \nfor SIL gap closure'

            what I want is only below:

            This PTS specifies the\n \nrequirements \nand recommendations for Classification, Verification \n\nFunct\nions.\n \nThe scope includes the following:\n \ni.\n \nSemi\n-\nquantitative SIL classification\n \nii.\n \nSpurious trip analysis\n \niii.\n \nProbabilistic and architectural SIL verification\n \niv.\n \nRecommendations\n \nfor SIL gap closure

            I need the sentence before the roman indexing as well as the content inside roman indexing.

            However, there are also cases like below

            3.1.3\n \nDo\nc\numentation\n \nrequired\n \nT\nh\ne\n \nl\nat\ne\ns\nt\n \nissue\n \nof\n \nt\nh\ne\n \nf\no\nllo\nw\ni\nng\n \ndocume\nn\nts\n \nshall\n \nbe\n \nav\na\nilab\nl\ne\n \nto\n \nthe\n \nte\na\nm\n \np\ne\nrf\no\nrm\ni\nng\n \nt\nh\ne \nc\nl\nass\ni\nf\ni\ncati\no\nn:\n \ni.\n \nMandatory reference document\n \na)\n \nCause and effect matrices (CEM)\n \nb)\n \nPiping and Instrument Diagram (P&ID) or Process and utility engineering \nflow schemes (PEFS)\n \nc)\n \nHAZOP report\n \nd)\n \nIPF reliability data\n \nii.\n \nOther reference document\n \na)\n \nProcess Flow Diagram (PFD) or Process Fl\now Scheme (PFS)\n \nb)\n \nPlant layout drawing\n \nc)\n \nProcess safeguarding flow schemes (PSFS)\n \nd)\n \nControl narratives\n \ne)\n \nInterlocks/ ESD logic diagram\n \nf)\n \nEquipment layout diagram\n \ng)\n \nMaintenance and Inspection Data\n \nh)\n \nPlant historian data\n \n \nT\nh\ne\n \nl\ni\ns\nt\n \na\nb\no\nve\n \nis\n \nn\no\nt\n \ne\nx\nh\na\nu\nsti\nv\ne. Any\n \not\nh\ne\nr\n \ndo\nc\nu\nm\ne\nn\nt\ns\n/ \nd\nr\na\nw\nin\ng\ns\n \nreq\nu\nir\ne\nd\n \nf\no\nr\n \nt\nhe \nc\nom\np\nletion\n \no\nf the\n \nIPF\n \ns\nt\nu\nd\ny\n \ns\nh\na\nll\n \nbe\n \nf\nu\nr\nn\nished\n \nas\n \na\nn\nd\n \nw\nhen\n \nre\nq\nui\nr\ne\nd\n.\n \n

            I've converted the pdf into raw text and I've managed to extract section of the document. The

            ...

            ANSWER

            Answered 2019-May-31 at 03:15

            If I understand the problem right, we would want to just take out the roman indices, and get the entire paragraph, which we would start with a simple expression such as:

            Source https://stackoverflow.com/questions/56387851

            QUESTION

            Serial Port AT Commands for GSM Modem Device not working on loop
            Asked 2017-Feb-02 at 01:52

            I've been currently working on a .net project that sends SMS messages through a GSM Modem Device. I can manage to send a single SMS message just fine, but when I start to loop the AT Commands to send SMS to multiple recipients, the behaviour of the application gets very clunky. Sometimes it could only send an SMS to the first recipient it could find, most of the times none at all.

            Below is the source code for my method on sending SMS to multiple recipients:

            ...

            ANSWER

            Answered 2017-Feb-02 at 01:52

            So I did a bit more research on how to utilize the serial port class based on the MSDN reference (for serial ports) and a few articles around here at SO, and I've come up with this unorthodox solution that involves using the SerialDataReceivedEventHandler provisioned by the SerialPort class and an infinite while loop.

            First of all, I created two properties in the class scope that is visible for both methods of the SendSMS(WebMethod) and the DataRecieved(Event):

            Source https://stackoverflow.com/questions/41888284

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install nequip

            Python >= 3.6
            PyTorch >= 1.8, <=1.11.*. PyTorch can be installed following the instructions from their documentation. Note that neither torchvision nor torchaudio, included in the default install command, are needed for NequIP.
            We use Weights&Biases to keep track of experiments. This is not a strict requirement — you can use our package without it — but it may make your life easier. If you want to use it, create an account here and install the Python package:
            Install NequIP
            The easiest way to check if your installation is working is to train a toy model:.

            Support

            If you have questions, please don't hesitate to reach out at batzner[at]g[dot]harvard[dot]edu. If you find a bug or have a proposal for a feature, please post it in the Issues. If you have a question, topic, or issue that isn't obviously one of those, try our GitHub Disucssions. If you want to contribute to the code, please read CONTRIBUTING.md.
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            Install
          • PyPI

            pip install nequip

          • CLONE
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            https://github.com/mir-group/nequip.git

          • CLI

            gh repo clone mir-group/nequip

          • sshUrl

            git@github.com:mir-group/nequip.git

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