Skip to content

Commit 93670b2

Browse files
author
Rohith Krishna
committed
initial commit
0 parents  commit 93670b2

File tree

5,588 files changed

+1817647
-0
lines changed

Some content is hidden

Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.

5,588 files changed

+1817647
-0
lines changed

.clang-format

Lines changed: 192 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,192 @@
1+
---
2+
Language: Cpp
3+
# BasedOnStyle: LLVM
4+
AccessModifierOffset: -2
5+
AlignAfterOpenBracket: Align
6+
AlignArrayOfStructures: None
7+
AlignConsecutiveMacros: None
8+
AlignConsecutiveAssignments: None
9+
AlignConsecutiveBitFields: None
10+
AlignConsecutiveDeclarations: None
11+
AlignEscapedNewlines: Right
12+
AlignOperands: Align
13+
AlignTrailingComments: true
14+
AllowAllArgumentsOnNextLine: true
15+
AllowAllParametersOfDeclarationOnNextLine: true
16+
AllowShortEnumsOnASingleLine: true
17+
AllowShortBlocksOnASingleLine: Never
18+
AllowShortCaseLabelsOnASingleLine: false
19+
AllowShortFunctionsOnASingleLine: All
20+
AllowShortLambdasOnASingleLine: All
21+
AllowShortIfStatementsOnASingleLine: true
22+
AllowShortLoopsOnASingleLine: false
23+
AlwaysBreakAfterDefinitionReturnType: None
24+
AlwaysBreakAfterReturnType: None
25+
AlwaysBreakBeforeMultilineStrings: false
26+
AlwaysBreakTemplateDeclarations: MultiLine
27+
AttributeMacros:
28+
- __capability
29+
BinPackArguments: true
30+
BinPackParameters: false
31+
BraceWrapping:
32+
AfterCaseLabel: false
33+
AfterClass: false
34+
AfterControlStatement: Never
35+
AfterEnum: false
36+
AfterFunction: false
37+
AfterNamespace: false
38+
AfterObjCDeclaration: false
39+
AfterStruct: false
40+
AfterUnion: false
41+
AfterExternBlock: false
42+
BeforeCatch: false
43+
BeforeElse: false
44+
BeforeLambdaBody: false
45+
BeforeWhile: false
46+
IndentBraces: false
47+
SplitEmptyFunction: true
48+
SplitEmptyRecord: true
49+
SplitEmptyNamespace: true
50+
BreakBeforeBinaryOperators: None
51+
BreakBeforeConceptDeclarations: true
52+
BreakBeforeBraces: Attach
53+
BreakBeforeInheritanceComma: false
54+
BreakInheritanceList: BeforeColon
55+
BreakBeforeTernaryOperators: true
56+
BreakConstructorInitializersBeforeComma: false
57+
BreakConstructorInitializers: BeforeColon
58+
BreakAfterJavaFieldAnnotations: false
59+
BreakStringLiterals: true
60+
ColumnLimit: 111
61+
CommentPragmas: '^ IWYU pragma:'
62+
QualifierAlignment: Leave
63+
CompactNamespaces: false
64+
ConstructorInitializerIndentWidth: 4
65+
ContinuationIndentWidth: 4
66+
Cpp11BracedListStyle: true
67+
DeriveLineEnding: true
68+
DerivePointerAlignment: false
69+
DisableFormat: false
70+
EmptyLineAfterAccessModifier: Never
71+
EmptyLineBeforeAccessModifier: LogicalBlock
72+
ExperimentalAutoDetectBinPacking: false
73+
PackConstructorInitializers: BinPack
74+
BasedOnStyle: ''
75+
ConstructorInitializerAllOnOneLineOrOnePerLine: false
76+
AllowAllConstructorInitializersOnNextLine: true
77+
FixNamespaceComments: true
78+
ForEachMacros:
79+
- foreach
80+
- Q_FOREACH
81+
- BOOST_FOREACH
82+
IfMacros:
83+
- KJ_IF_MAYBE
84+
IncludeBlocks: Preserve
85+
IncludeCategories:
86+
- Regex: '^"(llvm|llvm-c|clang|clang-c)/'
87+
Priority: 2
88+
SortPriority: 0
89+
CaseSensitive: false
90+
- Regex: '^(<|"(gtest|gmock|isl|json)/)'
91+
Priority: 3
92+
SortPriority: 0
93+
CaseSensitive: false
94+
- Regex: '.*'
95+
Priority: 1
96+
SortPriority: 0
97+
CaseSensitive: false
98+
IncludeIsMainRegex: '(Test)?$'
99+
IncludeIsMainSourceRegex: ''
100+
IndentAccessModifiers: false
101+
IndentCaseLabels: false
102+
IndentCaseBlocks: false
103+
IndentGotoLabels: true
104+
IndentPPDirectives: None
105+
IndentExternBlock: AfterExternBlock
106+
IndentRequires: false
107+
IndentWidth: 2
108+
IndentWrappedFunctionNames: false
109+
InsertTrailingCommas: None
110+
JavaScriptQuotes: Leave
111+
JavaScriptWrapImports: true
112+
KeepEmptyLinesAtTheStartOfBlocks: true
113+
LambdaBodyIndentation: Signature
114+
MacroBlockBegin: ''
115+
MacroBlockEnd: ''
116+
MaxEmptyLinesToKeep: 1
117+
NamespaceIndentation: None
118+
ObjCBinPackProtocolList: Auto
119+
ObjCBlockIndentWidth: 2
120+
ObjCBreakBeforeNestedBlockParam: true
121+
ObjCSpaceAfterProperty: false
122+
ObjCSpaceBeforeProtocolList: true
123+
PenaltyBreakAssignment: 2
124+
PenaltyBreakBeforeFirstCallParameter: 19
125+
PenaltyBreakComment: 300
126+
PenaltyBreakFirstLessLess: 120
127+
PenaltyBreakOpenParenthesis: 0
128+
PenaltyBreakString: 1000
129+
PenaltyBreakTemplateDeclaration: 10
130+
PenaltyExcessCharacter: 1000000
131+
PenaltyReturnTypeOnItsOwnLine: 60
132+
PenaltyIndentedWhitespace: 0
133+
PointerAlignment: Right
134+
PPIndentWidth: -1
135+
ReferenceAlignment: Pointer
136+
ReflowComments: true
137+
RemoveBracesLLVM: false
138+
SeparateDefinitionBlocks: Leave
139+
ShortNamespaceLines: 1
140+
SortIncludes: CaseSensitive
141+
SortJavaStaticImport: Before
142+
SortUsingDeclarations: true
143+
SpaceAfterCStyleCast: false
144+
SpaceAfterLogicalNot: false
145+
SpaceAfterTemplateKeyword: true
146+
SpaceBeforeAssignmentOperators: true
147+
SpaceBeforeCaseColon: false
148+
SpaceBeforeCpp11BracedList: false
149+
SpaceBeforeCtorInitializerColon: true
150+
SpaceBeforeInheritanceColon: true
151+
SpaceBeforeParens: ControlStatements
152+
SpaceBeforeParensOptions:
153+
AfterControlStatements: true
154+
AfterForeachMacros: true
155+
AfterFunctionDefinitionName: false
156+
AfterFunctionDeclarationName: false
157+
AfterIfMacros: true
158+
AfterOverloadedOperator: false
159+
BeforeNonEmptyParentheses: false
160+
SpaceAroundPointerQualifiers: Default
161+
SpaceBeforeRangeBasedForLoopColon: true
162+
SpaceInEmptyBlock: false
163+
SpaceInEmptyParentheses: false
164+
SpacesBeforeTrailingComments: 1
165+
SpacesInAngles: Never
166+
SpacesInConditionalStatement: false
167+
SpacesInContainerLiterals: true
168+
SpacesInCStyleCastParentheses: false
169+
SpacesInLineCommentPrefix:
170+
Minimum: 1
171+
Maximum: -1
172+
SpacesInParentheses: false
173+
SpacesInSquareBrackets: false
174+
SpaceBeforeSquareBrackets: false
175+
BitFieldColonSpacing: Both
176+
Standard: Latest
177+
StatementAttributeLikeMacros:
178+
- Q_EMIT
179+
StatementMacros:
180+
- Q_UNUSED
181+
- QT_REQUIRE_VERSION
182+
TabWidth: 8
183+
UseCRLF: false
184+
UseTab: Never
185+
WhitespaceSensitiveMacros:
186+
- STRINGIZE
187+
- PP_STRINGIZE
188+
- BOOST_PP_STRINGIZE
189+
- NS_SWIFT_NAME
190+
- CF_SWIFT_NAME
191+
...
192+

.gitignore

Lines changed: 62 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,62 @@
1+
lib/chai_weights/
2+
lib/chai_cache/
3+
servers/
4+
5+
valid_remapped
6+
lig_test
7+
dataset.pkl
8+
run_digs.sh
9+
# *.pdb
10+
.vscode
11+
slurm_logs/
12+
**/output/
13+
**/outputs/
14+
*/notebooks/
15+
*/models/
16+
__pycache__/
17+
*/run_scripts/
18+
unit_tests/
19+
ruff.toml
20+
*/scratch/
21+
*/wandb/
22+
rf2aa/dataset_20240318.pkl
23+
*.csv
24+
*.err
25+
*.log
26+
*.sublime-workspace
27+
/*.pdb
28+
/rf_diffusion/*.pdb
29+
/rf_diffusion/samples/
30+
/doc/build
31+
/doc/source/api
32+
pytest*.log
33+
slurm_logs_*
34+
.vscode
35+
.env
36+
*.ipynb
37+
data/run.sh
38+
.cache
39+
.hypothesis
40+
_pytest_tmp_*
41+
rf_diffusion/tmp
42+
rf_diffusion/debug
43+
doc/build
44+
doc/source/api/
45+
doc/source/rf_diffusion.conditions.rst
46+
doc/source/rf_diffusion.inference.rst
47+
doc/source/rf_diffusion.observer.rst
48+
doc/source/rf_diffusion.rst
49+
doc/source/rf_diffusion.sym.rst
50+
doc/source/rf_diffusion.test_seq_diff.rst
51+
doc/source/rf_diffusion.viz.rst
52+
.envrc
53+
*.egg-info
54+
_*_tests
55+
_notes
56+
unidealized
57+
.yapf_hash
58+
jobs.list*
59+
\#*
60+
*\#
61+
rf_diffusion/open_source_tests/
62+
rf_diffusion/test_outputs/

.sourcery.yaml

Lines changed: 81 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,81 @@
1+
# 🪄 This is your project's Sourcery configuration file.
2+
3+
# You can use it to get Sourcery working in the way you want, such as
4+
# ignoring specific refactorings, skipping directories in your project,
5+
# or writing custom rules.
6+
7+
# 📚 For a complete reference to this file, see the documentation at
8+
# https://docs.sourcery.ai/Configuration/Project-Settings/
9+
10+
# This file was auto-generated by Sourcery on 2024-07-18 at 19:42.
11+
12+
version: '1' # The schema version of this config file
13+
14+
ignore: # A list of paths or files which Sourcery will ignore.
15+
- .git
16+
- env
17+
- .env
18+
- .tox
19+
- node_modules
20+
- vendor
21+
- venv
22+
- .venv
23+
- ~/.pyenv
24+
- ~/.rye
25+
- ~/.vscode
26+
- .vscode
27+
- ~/.cache
28+
- ~/.config
29+
- ~/.local
30+
31+
rule_settings:
32+
enable:
33+
- default
34+
disable: [] # A list of rule IDs Sourcery will never suggest.
35+
rule_types:
36+
- refactoring
37+
- suggestion
38+
- comment
39+
python_version: '3.10' # A string specifying the lowest Python version your project supports. Sourcery will not suggest refactorings requiring a higher Python version.
40+
41+
# rules: # A list of custom rules Sourcery will include in its analysis.
42+
# - id: no-print-statements
43+
# description: Do not use print statements in the test directory.
44+
# pattern: print(...)
45+
# language: python
46+
# replacement:
47+
# condition:
48+
# explanation:
49+
# paths:
50+
# include:
51+
# - test
52+
# exclude:
53+
# - conftest.py
54+
# tests: []
55+
# tags: []
56+
57+
# rule_tags: {} # Additional rule tags.
58+
59+
# metrics:
60+
# quality_threshold: 25.0
61+
62+
# github:
63+
# labels: []
64+
# ignore_labels:
65+
# - sourcery-ignore
66+
# request_review: author
67+
# sourcery_branch: sourcery/{base_branch}
68+
69+
# clone_detection:
70+
# min_lines: 3
71+
# min_duplicates: 2
72+
# identical_clones_only: false
73+
74+
# proxy:
75+
# url:
76+
# ssl_certs_file:
77+
# no_ssl_verify: false
78+
79+
# coding_assistant:
80+
# project_description: ''
81+
# enabled:

0 commit comments

Comments
 (0)