Ecosyste.ms: Repos

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GitHub topics: abinitio

rdenadai/ReviewProteinStructurePrediction

Protein Structure Prediction is another biggest challenge that mankind is looking to solve. If solved or at least partially solved it could revolutionize medicine and drug industry.

Size: 317 KB - Last synced: about 2 months ago - Pushed: almost 4 years ago - Stars: 1 - Forks: 0

MilaimKas/ECW_CC

Experimentally constrained wave function approach within the coupled cluster formalism

Language: Python - Size: 76.4 MB - Last synced: 5 months ago - Pushed: over 2 years ago - Stars: 0 - Forks: 0

tilde-lab/pycrystal

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

Language: Python - Size: 309 KB - Last synced: 2 months ago - Pushed: 4 months ago - Stars: 10 - Forks: 1

AbinitioDGA/ADGA

Abinitio Dynamical Vertex Approximation

Language: Fortran - Size: 62.9 MB - Last synced: 8 months ago - Pushed: over 4 years ago - Stars: 12 - Forks: 1

alejandrogallo/wavecar.hpp

A c++ library for reading and manipulating WAVECAR files from VASP

Language: C++ - Size: 127 KB - Last synced: about 1 year ago - Pushed: about 3 years ago - Stars: 3 - Forks: 0

avidLearnerInProgress/avro_to_abi

Converts avro dml to abinitio specific dml

Language: Python - Size: 12.1 MB - Last synced: about 1 year ago - Pushed: over 5 years ago - Stars: 0 - Forks: 1