Read and write Molden Format
Path validators to be used with argparse
Chemical elements with masses and radii
VB-analysis of CAS-CI expansion
Plot energy levels
Plots using horizontal lines and points, possibly joined
Wrappers for file-like objects
Quantum-chemical utility for computing natural orbitals
Calculate band parameters, such as max, barycenter, width
Anthropic, PBC
Visionary sponsor
Bloomberg
Visionary sponsor
Hudson River Trading
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Meta
Visionary sponsor
NVIDIA
Visionary sponsor
Microsoft
Sustainability sponsor
Depot
Continuous Integration
AWS
Cloud computing and Security Sponsor
Datadog
Monitoring
Fastly
CDN
Google
Download Analytics
Sentry
Error logging
StatusPage
Status page