Pinned Repositories
amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
ase-espresso
ase interface for Quantum Espresso
bdqm-vip
ccsubsample
Data-analytics-project
data_analytics_ChE
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
dev_SPARC_PBEq
DFT code for semilocal PBEq functional
DFT-training-material
For DFT subgroup
DFT_correction_scheme
correction of DFT energy via understanding of electronic environments
M-SPARC
ssahoo41's Repositories
ssahoo41/dev_SPARC_PBEq
DFT code for semilocal PBEq functional
ssahoo41/Data-analytics-project
ssahoo41/amptorch
AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch
ssahoo41/ase-espresso
ase interface for Quantum Espresso
ssahoo41/bdqm-vip
ssahoo41/ccsubsample
ssahoo41/data_analytics_ChE
Repository for notes and exercises for ChBE 4745/6745 - Data Analytics for Chemical Engineers.
ssahoo41/DFT-training-material
For DFT subgroup
ssahoo41/DFT_correction_scheme
correction of DFT energy via understanding of electronic environments
ssahoo41/M-SPARC
ssahoo41/MCSH_C_Implementation
C implementation of the MCSH descriptors
ssahoo41/NNSubsampling
Nearest Neighbour Based Subsampling Algorithm for Uniform Subsampling
ssahoo41/q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
ssahoo41/SG15_pseudopotentials_psp8_upf
A collection of the SG15 pseudopotentials in the psp8 format
ssahoo41/software-engineering
Software engineering for the IHPCSS Laplace code
ssahoo41/SPARC
Simulation Package for Ab-initio Real-space Calculations
ssahoo41/sparc-dft-api