mmh42/fah-testing : latest
Latest release: over 3 years ago - 49 downloads - 216 dependencies
JSONDependencies
- AmberLite 22.0
- AmberUtils 21.0
- Cython 0.29.32
- Jinja2 3.1.2
- MMPBSA.py 16.0
- MarkupSafe 2.1.1
- OpenEye-toolkits-python3-linux-x64 2022.2.1
- OpenMM 7.7.0
- ParmEd 3.4.3
- Pillow 9.2.0
- Pint 0.20.1
- PySocks 1.7.1
- PyYAML 6.0
- Pygments 2.13.0
- SQLAlchemy 1.4.45
- Send2Trash 1.8.0
- anyio 3.6.2
- argon2-cffi-bindings 21.2.0
- argon2-cffi 21.3.0
- asttokens 2.2.1
- astunparse 1.6.3
- attrs 22.1.0
- backcall 0.2.0
- backports.functools-lru-cache 1.6.4
- bcrypt 3.2.2
- beautifulsoup4 4.11.1
- bleach 5.0.1
- boto3 1.26.31
- botocore 1.29.31
- brotlipy 0.7.0
- bytecode 0.13.0.dev0
- cached-property 1.5.2
- cachetools 5.2.0
- certifi 2022.12.7
- cffi 1.15.1
- cftime 1.6.2
- charset-normalizer 2.1.1
- click 8.1.3
- colorama 0.4.6
- comm 0.1.2
- contourpy 1.0.6
- cryptography 38.0.4
- cycler 0.11.0
- debugpy 1.6.4
- decorator 5.1.1
- defusedxml 0.7.1
- ecdsa 0.18.0
- english 2020.7.0
- entrypoints 0.4
- exceptiongroup 1.0.4
- executing 1.2.0
- fah-alchemy 0 unknown
- fastapi 0.88.0
- fastjsonschema 2.16.2
- flit_core 3.8.0
- fonttools 4.38.0
- gmpy2 2.1.2
- greenlet 2.0.1
- gufe 0.4.post67 g3428289
- gunicorn 20.1.0
- h11 0.14.0
- h2 4.1.0
- hpack 4.0.0
- html5lib 1.1
- httpcore 0.16.2
- httpx 0.23.1
- hyperframe 6.0.1
- idna 3.4
- importlib-metadata 5.1.0
- importlib-resources 5.10.1
- iniconfig 1.1.1
- interchange 2021.0.4
- ipykernel 6.19.2
- ipython-genutils 0.2.0
- ipython 8.7.0
- ipywidgets 7.7.2
- jedi 0.18.2
- jmespath 1.0.1
- jsonschema 4.17.3
- jupyter-events 0.5.0
- jupyter_client 7.4.8
- jupyter_core 5.1.0
- jupyter_server 2.0.1
- jupyter_server_terminals 0.4.2
- jupyterlab-pygments 0.2.2
- jupyterlab-widgets 1.1.1
- kiwisolver 1.4.4
- llvmlite 0.39.1
- lomap 2.1.0
- lxml 4.9.2
- matplotlib-inline 0.1.6
- matplotlib 3.6.2
- mdtraj 1.9.7
- mistune 2.0.4
- monotonic 1.5
- mpiplus 0 untagged.25.g902b2ea.dirty
- munkres 1.1.4
- mypy 0.931
- nbclassic 0.4.8
- nbclient 0.7.2
- nbconvert 7.2.6
- nbformat 5.7.0
- neo4j 5.2.1
- neobolt 1.7.17
- neotime 1.7.4
- nest-asyncio 1.5.6
- netCDF4 1.6.2
- networkx 2.8.8
- nose 1.3.7
- notebook 6.5.2
- notebook_shim 0.2.2
- numba 0.56.4
- numexpr 2.8.3
- numpy 1.23.5
- openfe-benchmarks 0.0.0
- openfe 0.5
- openff-amber-ff-ports 0 untagged.24.gf33b5cd.dirty
- openff-interchange 0.2.3
- openff-models 0 untagged.25.gff3a04e
- openff-toolkit 0.11.4
- openff-units 0.2.0
- openff-utilities 0.1.7
- openforcefields 0 unknown
- openmmforcefields 0 untagged.18.g855e05f.dirty
- openmmtools 0.21.5
- packaging 21.3
- packmol-memgen 1.2.3rc0
- pandas 1.5.2
- pandocfilters 1.5.0
- panedr 0.5.2
- parso 0.8.3
- passlib 1.7.4
- pbr 5.11.0
- pdb4amber 22.0
- pdbfixer 1.8.1
- pexpect 4.8.0
- pickleshare 0.7.5
- pip 22.3.1
- pkgutil_resolve_name 1.3.10
- platformdirs 2.6.0
- plugcli 0.0.1
- pluggy 1.0.0
- prometheus-client 0.15.0
- prompt-toolkit 3.0.36
- psutil 5.9.4
- ptyprocess 0.7.0
- pure-eval 0.2.2
- py2neo 2021.2.3
- py3Dmol 1.8.1
- pyMSMT 22.0
- pyOpenSSL 22.1.0
- pyasn1 0.4.8
- pycairo 1.23.0
- pycparser 2.21
- pydantic 1.10.2
- pydata-sphinx-theme 0.9.0
- pymbar 3.0.5
- pyparsing 3.0.9
- pyrsistent 0.19.2
- pytest 7.2.0
- python-constraint 1.4.0
- python-dateutil 2.8.2
- python-jose 3.3.0
- python-json-logger 2.0.1
- python-multipart 0.0.5
- pytraj 2.0.6
- pytz 2022.6
- pyzmq 24.0.1
- reportlab 3.6.12
- requests 2.28.1
- rfc3986 1.5.0
- rsa 4.9
- s3transfer 0.6.0
- sander 22.0
- scipy 1.9.3
- setuptools 65.5.1
- six 1.16.0
- smirnoff99frosst 0 unknown
- sniffio 1.3.0
- soupsieve 2.3.2.post1
- stack-data 0.6.2
- starlette 0.22.0
- tables 3.7.0
- terminado 0.17.1
- tinycss2 1.2.1
- tinydb 4.7.0
- tomli 1.2.3
- tomli 2.0.1
- tornado 6.2
- traitlets 5.7.1
- typing_extensions 4.4.0
- unicodedata2 15.0.0
- urllib3 1.26.13
- uvicorn 0.20.0
- validators 0.18.2
- wcwidth 0.2.5
- webencodings 0.5.1
- websocket-client 1.4.2
- wheel 0.38.4
- widgetsnbextension 3.6.1
- xmltodict 0.13.0
- zipp 3.11.0