Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / qmlcode/qml issues and pull requests

#152 - `numpy.distutils` dependency

Issue - State: closed - Opened by vivinvinod 3 months ago - 2 comments

#151 - Incompatibiliy numpy & get_slatm_mbtypes

Issue - State: closed - Opened by Mi-chael 5 months ago - 2 comments

#150 - handling topology only molecules [feature request]

Issue - State: open - Opened by UnixJunkie 8 months ago

#149 - ModuleNotFoundError: No module named 'numpy'

Issue - State: open - Opened by UnixJunkie 8 months ago - 4 comments

#148 - wheel problem

Issue - State: open - Opened by zhuolian111 11 months ago - 2 comments

#147 - Update representations.py

Pull Request - State: open - Opened by puckvg over 1 year ago

#146 - Add configuration for build time dependencies

Pull Request - State: open - Opened by EdmundGoodman over 1 year ago - 2 comments

#145 - Installation broken in fresh virtual environments

Issue - State: open - Opened by EdmundGoodman over 1 year ago - 3 comments

#144 - Update representations.py

Pull Request - State: open - Opened by g-anush over 1 year ago

#143 - Unable to install.

Issue - State: open - Opened by RokeJulianLockhart over 1 year ago - 1 comment

#142 - NameError: name 'Compound' is not defined

Issue - State: open - Opened by zhaohui-accept over 2 years ago - 1 comment

#141 - QML on Apple silicon

Issue - State: open - Opened by viniavila almost 3 years ago - 1 comment

#140 - import error

Issue - State: open - Opened by hacret almost 3 years ago - 1 comment

#138 - BoB seg faulting on MacOS

Issue - State: open - Opened by owencqueen over 3 years ago - 2 comments

#137 - FCHL19 with periodic boundary conditions and OpenMP.

Pull Request - State: open - Opened by kvkarandashev almost 4 years ago - 4 comments

#136 - BoB generation

Issue - State: open - Opened by TDLemonNovecento about 4 years ago - 1 comment

#135 - Time taken to import qml modules

Issue - State: open - Opened by puckvg about 4 years ago - 1 comment

#134 - Installation with Intel compiler fails

Issue - State: open - Opened by ff781 about 4 years ago - 1 comment

#133 - Problems with installation

Issue - State: open - Opened by Echo2Lee over 4 years ago - 7 comments

#132 - FHCL19 for periodic systems?

Issue - State: open - Opened by sirmarcel over 4 years ago - 2 comments

#131 - QML install error, MKLROOT not set?

Issue - State: closed - Opened by BRS4511 over 4 years ago - 2 comments

#130 - Added Wasserstein based kernel

Pull Request - State: closed - Opened by onurcaylak over 4 years ago

#129 - Added Wasserstein based kernel

Pull Request - State: closed - Opened by onurcaylak over 4 years ago

#128 - pip3 install qml error

Issue - State: closed - Opened by graggi over 4 years ago - 2 comments

#127 - Remove spurious dependency

Pull Request - State: closed - Opened by ferchault over 4 years ago - 2 comments

#126 - Update representations.py

Pull Request - State: closed - Opened by puckvg over 4 years ago

#125 - Some basic functionality for the Compound class

Issue - State: closed - Opened by puckvg almost 5 years ago - 2 comments

#124 - Space in -pthread arguments fails compilation

Issue - State: open - Opened by guimaluf almost 5 years ago - 4 comments

#123 - Fixes #119

Pull Request - State: closed - Opened by cstein about 5 years ago

#122 - Feature enum style kernel types

Pull Request - State: closed - Opened by cstein about 5 years ago

#121 - Find Python environment MKL

Pull Request - State: closed - Opened by charnley about 5 years ago - 1 comment

#120 - macOS on Travis-CI

Pull Request - State: closed - Opened by RMeli over 5 years ago - 5 comments

#119 - Segmentation fault for test_krr_bob on macOS

Issue - State: closed - Opened by RMeli over 5 years ago - 2 comments

#118 - Fixes problem with gaussian kernel and QMLearn

Pull Request - State: closed - Opened by andersx over 5 years ago

#117 - Code for FCHL19

Pull Request - State: closed - Opened by andersx over 5 years ago

#116 - Any documents about the use of FCHL19?

Issue - State: closed - Opened by lixinyuu over 5 years ago - 3 comments

#115 - Pull request for CQML extension (2nd trial)

Pull Request - State: open - Opened by zaspel over 5 years ago

#114 - Pull request for CQML extension

Pull Request - State: closed - Opened by zaspel over 5 years ago - 1 comment

#113 - Per-feature kernel widths

Pull Request - State: open - Opened by somnambWl over 5 years ago - 3 comments

#112 - MRMP changes

Pull Request - State: closed - Opened by SilviaAmAm over 5 years ago

#111 - Removed all f-code requiring omp_lib from FCHL code

Pull Request - State: closed - Opened by andersx over 5 years ago

#110 - Issue when giving integer values to fchl kernel functions

Issue - State: open - Opened by larsbratholm almost 6 years ago
Labels: bug, help wanted

#109 - FCHL example uses old notation

Issue - State: open - Opened by larsbratholm almost 6 years ago
Labels: bug, help wanted

#108 - Remove ase and dataprovider

Pull Request - State: closed - Opened by andersx almost 6 years ago - 1 comment

#107 - removed old dataprovider and ASE requirements

Pull Request - State: closed - Opened by andersx almost 6 years ago - 1 comment

#106 - Remove Dataprovider from data/ remove ASE dependency

Issue - State: closed - Opened by andersx almost 6 years ago - 3 comments

#105 - Fixed extra space before -lpthread flag

Pull Request - State: closed - Opened by SilviaAmAm almost 6 years ago

#104 - Tolerance fix

Pull Request - State: closed - Opened by SilviaAmAm almost 6 years ago

#103 - Add ability to create compounds from file-like objects

Pull Request - State: closed - Opened by WardLT almost 6 years ago

#102 - Error in test_armp.py//test_predict_fromxyz()

Issue - State: closed - Opened by andersx almost 6 years ago - 1 comment

#101 - Kernel PCA

Pull Request - State: closed - Opened by andersx about 6 years ago

#100 - Added padding option for ACSF

Pull Request - State: closed - Opened by andersx about 6 years ago

#99 - Fixed error and warnings caused by latest numpy 1.16.0

Pull Request - State: closed - Opened by andersx about 6 years ago

#98 - Develop

Pull Request - State: closed - Opened by SilviaAmAm about 6 years ago

#97 - Dataset downloaders

Issue - State: closed - Opened by eickenberg about 6 years ago - 1 comment

#96 - Fixes OMP memory issues in ACSF

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#95 - Omp reduction bugfix

Pull Request - State: closed - Opened by larsbratholm over 6 years ago - 1 comment

#94 - Develop

Pull Request - State: closed - Opened by SilviaAmAm over 6 years ago
Labels: enhancement

#93 - Changed linear fit to lasso regression

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#92 - continue->cycle

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#91 - Temporary fix for issue #90

Pull Request - State: closed - Opened by SilviaAmAm over 6 years ago

#90 - OpenMP problem in acsf generation with gradients

Issue - State: closed - Opened by SilviaAmAm over 6 years ago
Labels: bug

#89 - Removed pesky u-umlaut

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#88 - Minor bugfixes, including #86

Pull Request - State: closed - Opened by larsbratholm over 6 years ago
Labels: bug, Critical

#87 - Documentation missing in FCHL

Issue - State: open - Opened by larsbratholm over 6 years ago - 1 comment
Labels: non-critical

#86 - FCHL python/fortran interface bug

Issue - State: closed - Opened by larsbratholm over 6 years ago - 2 comments
Labels: bug

#85 - Fixed race condition in fchl global kernels

Pull Request - State: closed - Opened by andersx over 6 years ago

#84 - Possible race condition in symmetric global kernel

Issue - State: closed - Opened by andersx over 6 years ago - 1 comment
Labels: bug, Critical

#83 - Added python interface to symmetric vector kernels

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#82 - Qmlearn

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#81 - Symmetric Kernels

Pull Request - State: closed - Opened by larsbratholm over 6 years ago - 1 comment

#80 - Look into using dask for distributed computations

Issue - State: open - Opened by larsbratholm over 6 years ago
Labels: enhancement, QOL

#79 - Fchl merge

Pull Request - State: closed - Opened by andersx over 6 years ago

#78 - Fchl merge

Pull Request - State: closed - Opened by andersx over 6 years ago

#77 - Bug fix to acsf fortran code

Pull Request - State: closed - Opened by larsbratholm over 6 years ago
Labels: bug, Critical

#76 - Bug fix to acsf fortran code

Pull Request - State: closed - Opened by larsbratholm over 6 years ago - 1 comment

#75 - Removes U-umlaut characters causing a problem with setup.py and pip

Pull Request - State: closed - Opened by andersx over 6 years ago

#74 - Hotfix for unicode error / updated author list

Pull Request - State: closed - Opened by larsbratholm over 6 years ago - 2 comments
Labels: Critical

#73 - UnicodeDecodeError from setup.py

Issue - State: closed - Opened by mikstr over 6 years ago - 6 comments

#72 - MPI driver prototype

Pull Request - State: closed - Opened by ferchault over 6 years ago

#71 - Directory structure

Pull Request - State: closed - Opened by andersx over 6 years ago

#70 - Include compiler and link information in help

Issue - State: open - Opened by charnley over 6 years ago
Labels: enhancement, QOL

#69 - Minor docs changes

Pull Request - State: closed - Opened by berquist over 6 years ago - 3 comments

#68 - move qml.ml.* python modules to qml.*

Issue - State: closed - Opened by andersx over 6 years ago - 2 comments
Labels: enhancement, non-critical, QOL

#67 - Closes #62

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#66 - New Examples

Pull Request - State: closed - Opened by SilviaAmAm over 6 years ago - 2 comments

#65 - Atom centered symmetry functions (#64)

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#64 - Atom centered symmetry functions

Pull Request - State: closed - Opened by larsbratholm over 6 years ago

#63 - Remove most of qml7 xyz files

Issue - State: open - Opened by larsbratholm over 6 years ago - 1 comment
Labels: non-critical, QOL

#62 - Add license information to all files, re-update author list

Issue - State: closed - Opened by andersx over 6 years ago
Labels: Critical

#61 - Add examples/documentation for Aglaia module

Issue - State: closed - Opened by andersx over 6 years ago
Labels: enhancement, non-critical, QOL

#60 - updated readme, removed redundant readme, changed mkldiscover message

Pull Request - State: closed - Opened by charnley over 6 years ago - 5 comments

#58 - Compiler warnings

Issue - State: open - Opened by andersx over 6 years ago - 2 comments
Labels: non-critical

#57 - Add OSX to travis build

Issue - State: open - Opened by larsbratholm over 6 years ago

#55 - Change examples/tutorials to jupyter notebooks

Issue - State: open - Opened by larsbratholm over 6 years ago - 1 comment
Labels: enhancement

#53 - Update docs to restructure

Issue - State: open - Opened by larsbratholm over 6 years ago
Labels: enhancement

#52 - Anaconda deployment

Issue - State: open - Opened by larsbratholm over 6 years ago - 5 comments
Labels: enhancement

#51 - Remove all of Anders' stale branches

Issue - State: closed - Opened by andersx over 6 years ago - 3 comments

#50 - High level interface and neural network

Pull Request - State: closed - Opened by larsbratholm over 6 years ago - 1 comment