Skip to content

Commit ffc82c0

Browse files
authored
Merge pull request #1 from VirtualFlow/develop
New primary version (develop -> master)
2 parents df9dded + 0a2be7f commit ffc82c0

File tree

6,445 files changed

+1149950
-3099132
lines changed

Some content is hidden

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

6,445 files changed

+1149950
-3099132
lines changed

.gitignore

Lines changed: 5 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,5 @@
1+
.idea/
2+
3+
*.pyc
4+
.dropbox.attr
5+
*.attr

CODE_OF_CONDUCT.md

Lines changed: 76 additions & 0 deletions

CONTRIBUTING.md

Lines changed: 1 addition & 0 deletions

LICENSE

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
11
GNU GENERAL PUBLIC LICENSE
22
Version 3, 29 June 2007
33

4-
Copyright (C) 2007 Free Software Foundation, Inc. <http://fsf.org/>
4+
Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/>
55
Everyone is permitted to copy and distribute verbatim copies
66
of this license document, but changing it is not allowed.
77

@@ -645,7 +645,7 @@ the "copyright" line and a pointer to where the full notice is found.
645645
GNU General Public License for more details.
646646

647647
You should have received a copy of the GNU General Public License
648-
along with this program. If not, see <http://www.gnu.org/licenses/>.
648+
along with this program. If not, see <https://www.gnu.org/licenses/>.
649649

650650
Also add information on how to contact you by electronic and paper mail.
651651

@@ -664,11 +664,11 @@ might be different; for a GUI interface, you would use an "about box".
664664
You should also get your employer (if you work as a programmer) or school,
665665
if any, to sign a "copyright disclaimer" for the program, if necessary.
666666
For more information on this, and how to apply and follow the GNU GPL, see
667-
<http://www.gnu.org/licenses/>.
667+
<https://www.gnu.org/licenses/>.
668668

669669
The GNU General Public License does not permit incorporating your program
670670
into proprietary programs. If your program is a subroutine library, you
671671
may consider it more useful to permit linking proprietary applications with
672672
the library. If this is what you want to do, use the GNU Lesser General
673673
Public License instead of this License. But first, please read
674-
<http://www.gnu.org/philosophy/why-not-lgpl.html>.
674+
<https://www.gnu.org/licenses/why-not-lgpl.html>.

README.md

Lines changed: 14 additions & 0 deletions

input-files/README.md

Lines changed: 2 additions & 0 deletions

input-files/ligand-collections/zinc15.A.smiles.length/AAAA_1.txt

Lines changed: 0 additions & 1 deletion
This file was deleted.

input-files/ligand-collections/zinc15.A.smiles.length/AAAA_10.txt

Lines changed: 0 additions & 1 deletion
This file was deleted.

input-files/ligand-collections/zinc15.A.smiles.length/AAAA_11.txt

Lines changed: 0 additions & 1 deletion
This file was deleted.

input-files/ligand-collections/zinc15.A.smiles.length/AAAA_12.txt

Lines changed: 0 additions & 1 deletion
This file was deleted.

0 commit comments

Comments
 (0)