Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
Package Usage: pypi: FCD
Fréchet ChEMNet Distance
2 versions
Latest release: about 4 years ago
643 downloads last month
View more package details: https://packages.ecosyste.ms/registries/pypi.org/packages/FCD
View more repository details: https://repos.ecosyste.ms/hosts/GitHub/repositories/bioinf-jku%2FFCD
Dependent Repos 5
BenevolentAI/guacamol
Benchmarks for generative chemistry- >=1.1 setup.py
Size: 95.7 KB - Last synced: 2 months ago - Pushed: 4 months ago
john-bradshaw/molecule-chef
Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)- ==1.0 requirements.txt
Size: 51.5 MB - Last synced: about 1 year ago - Pushed: over 1 year ago
ClinuxMDL/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 65.4 MB - Last synced: 7 months ago - Pushed: over 1 year ago
jannisborn/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 65.3 MB - Last synced: about 1 year ago - Pushed: over 1 year ago
VasaKiDD/end-to-end-drug-discovery
End to End drug discovery with Fractal AI and genetic algorithms- ==1.0 requirements.txt
Size: 39.6 MB - Last synced: 2 months ago - Pushed: over 1 year ago
mims-harvard/TDC
Therapeutics Commons: Artificial Intelligence Foundation for Therapeutic Science- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 67.6 MB - Last synced: 26 days ago - Pushed: 26 days ago
iktos/generation-under-synthetic-constraint
- ^1.1 pyproject.toml
Size: 288 MB - Last synced: about 2 months ago - Pushed: about 2 years ago
mannyking0711/TDC
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 0 Bytes - Last synced: 11 months ago - Pushed: 11 months ago
jourmore/guacamol Fork of BenevolentAI/guacamol
Benchmarks for generative chemistry- >=1.1 setup.py
Size: 117 KB - Last synced: 10 months ago - Pushed: over 2 years ago
jourmore/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 66.1 MB - Last synced: 10 months ago - Pushed: about 2 years ago
Dongcf/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 65.1 MB - Last synced: 10 months ago - Pushed: about 2 years ago
limubai404/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 67.1 MB - Last synced: 9 months ago - Pushed: 10 months ago
OtabekRustamov/guacamol Fork of BenevolentAI/guacamol
Benchmarks for generative chemistry- >=1.1 setup.py
Size: 97.7 KB - Last synced: 9 months ago - Pushed: 9 months ago
abearab/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 21.4 MB - Last synced: 9 days ago - Pushed: 9 days ago
ayaz345/guacamol Fork of BenevolentAI/guacamol
Benchmarks for generative chemistry- >=1.1 setup.py
Size: 97.7 KB - Last synced: about 1 month ago - Pushed: 8 months ago
csshirri/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 67.1 MB - Last synced: 8 months ago - Pushed: 9 months ago
alexgcsa/TDC Fork of mims-harvard/TDC
Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/requirements.txt
- ==1.1 examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
- * examples/generation/docking_generation/guacamol_tdc/guacamol/setup.py
Size: 65.9 MB - Last synced: 8 months ago - Pushed: over 1 year ago
futianfan/guacamol_tdc
tdc leaderboard- ==1.1 guacamol/requirements.txt
- ==1.1 guacamol/setup.py
- * guacamol/setup.py
Size: 2.37 MB - Last synced: about 1 month ago - Pushed: about 3 years ago
sss206391/RWR
RWR 활용 천연물 효능 예측- ==1.1 서울과기대/requirements.txt
Size: 46.9 MB - Last synced: 5 months ago - Pushed: 6 months ago
hogru/GuacaMolEval
The effect of reference molecules sample size and padding length on the FCD metric value- 1.2 poetry.lock
Size: 405 KB - Last synced: 14 days ago - Pushed: 2 months ago
