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Chunked / streaming u_kn for memory-efficient MBAR fits at large K

Status: Open.

#574 In choderalab/pymbar;

· jamesoliverh opened on Apr 25, 2026

Histogram bootstrap handling of sometimes-unpopulated bins

Status: Open.

#573 In choderalab/pymbar;

· ftclark3 opened on Mar 27, 2026

MBAR(..., verbose=True) changes output of compute_free_energy_differences() when states are identical

Status: Open.

#572 In choderalab/pymbar;

· badisa opened on Feb 14, 2026

Memory and Performance Issues with JAX solver

Status: Open.

#564 In choderalab/pymbar;

· badisa opened on Sep 1, 2025

matmul errors, matmul errors everywhere

Status: Open.

#561 In choderalab/pymbar;

· Magalame opened on Aug 5, 2025

verbose = True triggers a type error

Status: Open.

#560 In choderalab/pymbar;

· Magalame opened on Jul 28, 2025

Possible JAX-incompatible code path?

bug

Status: Open.

#557 In choderalab/pymbar;

· mrshirts opened on Jun 16, 2025

·  

4.1

numpy 2.3.0 madness

Status: Open.

#556 In choderalab/pymbar;

· xiki-tempula opened on Jun 14, 2025

Remove/adjust logging

Status: Open.

#554 In choderalab/pymbar;

· FlorisLoffler opened on May 12, 2025

·  

4.1

Better default behavior for failure/success of MBAR solver.

Status: Open.

#548 In choderalab/pymbar;

· mrshirts opened on Feb 26, 2025

Add bootstrap to EXP and BAR?

enhancement

Status: Open.

#546 In choderalab/pymbar;

· mrshirts opened on Dec 27, 2024

Should Subsampling be Recommended?

Status: Open.

#545 In choderalab/pymbar;

· fjclark opened on Nov 18, 2024