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Allow the user to supply starting conformers from an SDF (#78) Publish Documentation #103: Commit 74d5c7f pushed by fjclark
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Add add_library_charges_to_forcefield fn (#71) Publish Documentation #102: Commit 43cd405 pushed by fjclark
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Add citation.cff and cite preprint in README and docs (#76) Publish Documentation #101: Commit 28483fb pushed by fjclark
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Revert "Point to OpenMMML with AIMNet2 custom models enabled" Publish Documentation #100: Commit c9f8b5a pushed by fjclark
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Point to OpenMMML with AIMNet2 custom models enabled Publish Documentation #99: Commit 8bd3cc2 pushed by fjclark
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Bump actions/checkout from 6 to 7 (#73) Publish Documentation #98: Commit eff6a3e pushed by fjclark
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Bump prefix-dev/setup-pixi from 0.9.6 to 0.10.0 (#72) Publish Documentation #97: Commit 2f5f53b pushed by fjclark
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Bump codecov/codecov-action from 6 to 7 (#74) Publish Documentation #96: Commit dff2931 pushed by fjclark
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Document conda-forge installation (#70) Publish Documentation #95: Commit eaddd34 pushed by fjclark
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Bump prefix-dev/setup-pixi from 0.9.5 to 0.9.6 (#67) Publish Documentation #94: Commit 8adbefd pushed by fjclark
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Merge pull request #68 from mattwthompson/no-polyfill Publish Documentation #93: Commit 8bb4eea pushed by djcole56
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Add full egret license (#66) Publish Documentation #92: Commit b331eb4 pushed by fjclark
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Update changelog Publish Documentation #91: Commit a5c3386 pushed by fjclark
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Add full egret license (#66) Publish Documentation #90: Commit b331eb4 pushed by fjclark
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Tidy changelog Publish Documentation #89: Commit fe3d6ae pushed by fjclark
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Tidy changelog Publish Documentation #88: Commit fe3d6ae pushed by fjclark
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Install smee and descent from conda-forge (#65) Publish Documentation #87: Commit e224b9d pushed by fjclark
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Update changelog Publish Documentation #86: Commit 5533b5a pushed by fjclark
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Install smee and descent from conda-forge (#65) Publish Documentation #85: Commit e224b9d pushed by fjclark
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Make environments more robust to dm-tree issues. (#60) Publish Documentation #84: Commit 4e1d40b pushed by fjclark
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Make environments more robust to dm-tree issues. (#60) Publish Documentation #83: Commit 4e1d40b pushed by fjclark
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Rename ParameterisationSettings ParamSettings (#62) Publish Documentation #82: Commit 9f2a8c8 pushed by fjclark
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Feature improve docs (#61) Publish Documentation #81: Commit 19da041 pushed by fjclark
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Make MLP loading more flexible (#59) Publish Documentation #80: Commit 1db890b pushed by fjclark
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Guard against lack of constraints in FF (#56) Publish Documentation #79: Commit 98acf48 pushed by fjclark
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