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julie-forman-kay-lab
/
IDPConformerGenerator
Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
https://idpconformergenerator.readthedocs.io/
Apache License 2.0
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Update Citation and Documentation
#232
menoliu
closed
2 years ago
0
`ldrs` Local Disordered Region Sampling and `resre` Renaming Residues Client
#231
menoliu
closed
1 year ago
7
improved logging
#230
joaomcteixeira
opened
2 years ago
0
B023
#229
joaomcteixeira
opened
2 years ago
0
Integrate Back-calculators and EISD Scoring and Optimization for Generated Ensembles
#228
menoliu
closed
2 years ago
2
Fix `seq` and `tors` length mismatch for `int2cart` bgeo strategy
#227
menoliu
opened
2 years ago
2
Correct Redundancies in Loops
#226
menoliu
closed
2 years ago
4
Add tests to the `main` function of `cli_build`
#225
joaomcteixeira
closed
2 years ago
2
Correct variable name overlap in `int2cart`
#224
joaomcteixeira
opened
2 years ago
2
Linting the whole code
#223
joaomcteixeira
closed
2 years ago
9
loop dict assignment rewrite
#222
joaomcteixeira
closed
2 years ago
1
Add citing
#221
joaomcteixeira
closed
2 years ago
0
`bgeodb` subclient and `exact` bgeo strategy
#220
menoliu
closed
2 years ago
8
Plot bond angle distributions for `bgeo`
#219
menoliu
closed
2 years ago
1
Correct CLI help for sethpc
#218
menoliu
closed
2 years ago
2
`fixed` BGEO Strategy
#217
menoliu
closed
2 years ago
0
Update branch name `master` to `main` in actions
#216
joaomcteixeira
closed
2 years ago
0
Update MC-SCE Installation Docs for Cluster
#215
menoliu
closed
2 years ago
1
Add pybind11 to ReadTheDocs config
#214
joaomcteixeira
closed
2 years ago
0
update CI
#213
joaomcteixeira
closed
2 years ago
0
add pr env to tox and actions
#212
joaomcteixeira
closed
2 years ago
0
Minor bugfixes and doc updates
#211
menoliu
closed
2 years ago
1
Re-licenses to Apache-2.0
#210
joaomcteixeira
closed
2 years ago
0
General corrections on CLIs
#209
joaomcteixeira
closed
2 years ago
4
Update usage for plotting and bgeo
#208
menoliu
closed
2 years ago
0
libfuncpy not needed anymore for graham
#207
joaomcteixeira
closed
2 years ago
2
update installation instructions for MC-SCE
#206
joaomcteixeira
closed
2 years ago
1
CI review
#205
joaomcteixeira
closed
2 years ago
0
Documentation for new features
#204
menoliu
closed
2 years ago
0
Int2Cart integration
#203
JerryJohnsonLee
closed
2 years ago
34
(FEATURE) UX Optimizations for SLURM HPC Management
#202
menoliu
closed
2 years ago
3
HPC Using SLURM
#201
menoliu
closed
2 years ago
3
(FEATURE) Implement `stats` and `search` sub-clients
#200
joaomcteixeira
closed
2 years ago
9
(FEATURE) Native plotting functions
#199
menoliu
closed
2 years ago
0
(FEATURE) Plotting Functions
#198
menoliu
closed
2 years ago
8
Correct `n_trials` docs
#197
joaomcteixeira
opened
2 years ago
0
Adds mmCIF downloading feature for `fetch`
#196
menoliu
closed
2 years ago
5
Download only PDB or mmCIF user-flag
#195
menoliu
closed
2 years ago
0
Fixes mismatch shape with MCSCE for HIP
#194
menoliu
closed
2 years ago
2
Corrects chunks to fragments for doc
#193
menoliu
closed
2 years ago
1
Replace "chunks" by "fragments"
#192
joaomcteixeira
closed
2 years ago
6
MC-SCE SCM Integration Issue Building Longer Proteins
#191
menoliu
closed
2 years ago
10
Fixes MC-SCE integration crashes
#190
menoliu
closed
2 years ago
0
Return double None
#189
joaomcteixeira
closed
2 years ago
1
Updates IDPConfGen Documentation from v0.4.1
#188
menoliu
closed
2 years ago
2
QUICKFIX: chunk sizes will be consistent now
#187
menoliu
closed
2 years ago
3
EDSSMat50 Substitution Matrix Shortcuts
#186
joaomcteixeira
closed
2 years ago
4
Adds support for sampling single residues when these are not selected in the chunksizes
#185
joaomcteixeira
closed
2 years ago
0
Automatic sampling of single residues if not defined by the user
#184
joaomcteixeira
closed
2 years ago
0
Implement some predefined residue substition matrices
#183
joaomcteixeira
closed
2 years ago
1
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