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CIcontinuous integrationcontinuous integration

Status: Open.

Task

#461 In alchemistry/alchemlyb;

· orbeckst opened on Jun 1, 2026

fix mypy type check

CIcontinuous integrationcontinuous integration

help wanted

Status: Open.

#460 In alchemistry/alchemlyb;

· orbeckst opened on Jun 1, 2026

fix formatting

CIcontinuous integrationcontinuous integration

help wanted

Status: Open.

Task

#459 In alchemistry/alchemlyb;

· orbeckst opened on Jun 1, 2026

FAILED src/alchemlyb/tests/parsing/test_lammps.py::test_u_nk on Ubuntu runners

bug

LAMMPSMD engineMD engine

parsers

Status: Open.

Bug

#458 In alchemistry/alchemlyb;

· orbeckst opened on May 30, 2026

Issue with NAMD IDWS fep?

NAMDMD engineMD engine

need more information

Status: Open.

#435 In alchemistry/alchemlyb;

· danielguion opened on Jul 29, 2025

Amber alchemical Error：The floating-point precision of lambda cannot be inconsistent

AMBERMD engineMD engine

need more information

Status: Open.

#425 In alchemistry/alchemlyb;

· ECNUwangjn opened on Nov 13, 2024

Parser for openmmtools

parsers

Status: Open.

#414 In alchemistry/alchemlyb;

· schuhmc opened on Sep 24, 2024

check low-coverage files

help wanted

testing

Status: Open.

#409 In alchemistry/alchemlyb;

· orbeckst opened on Sep 19, 2024

Deprecate pyarrow dependency as for pandas 3.0

persistence

Status: Open.

#343 In alchemistry/alchemlyb;

· xiki-tempula opened on Jan 3, 2024

AMBER2022 - DV/DL=0.000 with lambda scheduling

AMBERMD engineMD engine

parsers

Status: Open.

#242 In alchemistry/alchemlyb;

· DrDomenicoMarson opened on Sep 26, 2022

Consistent use of logger?

help wanted

logging

Status: Open.

#233 In alchemistry/alchemlyb;

· DrDomenicoMarson opened on Sep 19, 2022

A problem of file parsing for simulations with multiple coupled states

parsers

Status: Open.

#102 In alchemistry/alchemlyb;

· weitse-hsu opened on May 16, 2020