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Browse files- .gitattributes +17 -0
- bench_data/AddAtomAction.json +0 -0
- bench_data/ChangeAtomAction.json +0 -0
- bench_data/DeleteAroundAtomAction.json +3 -0
- bench_data/DeleteBelowAtomAction.json +0 -0
- bench_data/InsertBetweenAtomsAction.json +0 -0
- bench_data/MoveAroundAtomAction.json +3 -0
- bench_data/MoveAtomAction.json +0 -0
- bench_data/MoveSelectedAtomsAction.json +3 -0
- bench_data/MoveTowardsAtomAction.json +0 -0
- bench_data/RemoveAtomAction.json +0 -0
- bench_data/RotateAroundAtomAction.json +0 -0
- bench_data/SuperCellAction.json +3 -0
- bench_data/SwapAtomsAction.json +0 -0
- system_prompt.txt +8 -0
- train_data/AddAtomAction.json +3 -0
- train_data/ChangeAtomAction.json +3 -0
- train_data/DeleteAroundAtomAction.json +3 -0
- train_data/DeleteBelowAtomAction.json +3 -0
- train_data/InsertBetweenAtomsAction.json +3 -0
- train_data/MoveAroundAtomAction.json +3 -0
- train_data/MoveAtomAction.json +3 -0
- train_data/MoveSelectedAtomsAction.json +3 -0
- train_data/MoveTowardsAtomAction.json +3 -0
- train_data/RemoveAtomAction.json +3 -0
- train_data/RotateAroundAtomAction.json +3 -0
- train_data/SuperCellAction.json +3 -0
- train_data/SwapAtomsAction.json +3 -0
.gitattributes
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@@ -58,3 +58,20 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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bench_data/DeleteAroundAtomAction.json filter=lfs diff=lfs merge=lfs -text
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bench_data/MoveAroundAtomAction.json filter=lfs diff=lfs merge=lfs -text
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bench_data/MoveSelectedAtomsAction.json filter=lfs diff=lfs merge=lfs -text
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bench_data/SuperCellAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/AddAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/ChangeAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/DeleteAroundAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/DeleteBelowAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/InsertBetweenAtomsAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/MoveAroundAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/MoveAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/MoveSelectedAtomsAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/MoveTowardsAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/RemoveAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/RotateAroundAtomAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/SuperCellAction.json filter=lfs diff=lfs merge=lfs -text
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train_data/SwapAtomsAction.json filter=lfs diff=lfs merge=lfs -text
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bench_data/AddAtomAction.json
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bench_data/ChangeAtomAction.json
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bench_data/DeleteAroundAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:921bdef0665441a6293154b0303c04280cc06a2452a2d393088ee2a1ba5a7d53
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size 26725970
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bench_data/DeleteBelowAtomAction.json
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bench_data/InsertBetweenAtomsAction.json
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bench_data/MoveAroundAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:c7452f59f0f6b310088ba8d13a88ba5d3cbe3b687812e9a7e214ab1bc392da3b
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size 30502180
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bench_data/MoveAtomAction.json
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bench_data/MoveSelectedAtomsAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:f3b5372f9e7fd1e117126fdbc2062662be81d594da0217837a66ef189530bf24
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size 31368806
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bench_data/MoveTowardsAtomAction.json
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bench_data/RemoveAtomAction.json
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bench_data/RotateAroundAtomAction.json
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bench_data/SuperCellAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:89c0c04d0f78a5f56094629f360c390e168b14ef9bbcb094375064d4787e8272
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bench_data/SwapAtomsAction.json
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system_prompt.txt
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You are a CIF operation assistant. You will be given an input CIF content and an action prompt. Your task is to apply the action described in the action prompt to the initial CIF content. The coordinates in the action are in Cartesian format.
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Return the modified CIF content in cif format within "<cif>" and "</cif>" tags.
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Please ensure the output is a valid CIF file, with correct formula, and atom positions.
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Action prompt: {action_prompt}
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Input CIF content:
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{input}
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train_data/AddAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:85ca8beda28228a6f8aa783bdf32c4a0f53e660c35172fd7a5f7005697322342
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size 29974092
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train_data/ChangeAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:19fff6f39ececf34d7eed7924bd4f2f60ccf6c2238c6b96103c0f1f881dcb5ac
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size 29589570
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train_data/DeleteAroundAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:921bdef0665441a6293154b0303c04280cc06a2452a2d393088ee2a1ba5a7d53
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size 26725970
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train_data/DeleteBelowAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:534ba00d6f3b3bd98c6ad0a45e71b89129c6b1a7c015145cb08649f1ad31486e
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size 24224785
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train_data/InsertBetweenAtomsAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:095c6fb411c86c046ca2e62b81deff52c246d7b87919ad61c7aa2cb7a281d47b
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size 30224175
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train_data/MoveAroundAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:c7452f59f0f6b310088ba8d13a88ba5d3cbe3b687812e9a7e214ab1bc392da3b
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size 30502180
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train_data/MoveAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:a09a5f09a905f936e6bb4a20393216350143386c986ff14f6f5d6e640fb65669
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size 29570309
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train_data/MoveSelectedAtomsAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:f3b5372f9e7fd1e117126fdbc2062662be81d594da0217837a66ef189530bf24
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size 31368806
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train_data/MoveTowardsAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:0da07cd3eca6a13451d8a0823b06dfaffad9afe3a10f2b71438a9a0e4d872696
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size 29624222
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train_data/RemoveAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:5a1b11bfdb86a1314c97374eb92de7cdf2388821c06a9a0026dd487560462ca6
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size 29172859
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train_data/RotateAroundAtomAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:ac76abfe87b704937854b0c13e78c3fd625319dda2492c64739f402d585585f4
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size 30596425
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train_data/SuperCellAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:c45e7f594837011dbb3dfb66c36f7fae428cd636def47a908660294ae5662a94
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size 80700297
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train_data/SwapAtomsAction.json
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version https://git-lfs.github.com/spec/v1
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oid sha256:b0a9fbdc3e815d3a89bc0a4477a72bc858a996ff3b0e28a6e0e6a7691f79b09d
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size 29613219
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