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pptCDXbridge Public
Forked from mmaskeri/pptCDXbridgeEnables Mac roundtrip editing for ChemDraw scheme-contaning PowerPoints made in Windows
Python UpdatedMar 7, 2025 -
chemprop Public
Forked from chemprop/chempropMessage Passing Neural Networks for Molecule Property Prediction
Python Other UpdatedAug 24, 2024 -
flyte Public
Forked from flyteorg/flyteScalable and flexible workflow orchestration platform that seamlessly unifies data, ML and analytics stacks.
Go Apache License 2.0 UpdatedApr 26, 2024 -
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jupyter-kroki-magic Public
A Jupyter Notebook %%magic for drawing diagrams using kooky.io
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pharmer Public
Forked from UnixJunkie/pharmermirror of https://svn.code.sf.net/p/pharmer/code/trunk
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DockingPie Public
Forked from paiardin/DockingPieA Consensus Docking Plugin for PyMOL
Python GNU General Public License v3.0 UpdatedJun 29, 2022 -
stk Public
Forked from lukasturcani/stkA Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
Python MIT License UpdatedJun 17, 2022 -
Meeko Public
Forked from forlilab/MeekoInterfacing RDKit and AutoDock
Python Apache License 2.0 UpdatedMay 11, 2022 -
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fpocket Public
Forked from Discngine/fpocketfpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and…
C MIT License UpdatedAug 6, 2021 -
griddata Public
Python package for reading and writing various grid data formats
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rdkit Public
Forked from rdkit/rdkitThe official sources for the RDKit library
HTML BSD 3-Clause "New" or "Revised" License UpdatedApr 8, 2021 -
vue-dock-menu Public
Forked from prabhuignoto/vue-dock-menu⚓Dockable Menu bar for Vue
Vue MIT License UpdatedMar 24, 2021 -
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fastai Public
Forked from fastai/fastaiThe fastai deep learning library
Jupyter Notebook Apache License 2.0 UpdatedMar 20, 2021 -
fastcore Public
Forked from AnswerDotAI/fastcorePython supercharged for the fastai library
Jupyter Notebook Apache License 2.0 UpdatedFeb 23, 2021 -
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learn-to-smell Public
Repository for learn-to-smell competition
Jupyter Notebook UpdatedOct 26, 2020 -
rd_filters Public
Forked from PatWalters/rd_filtersA script to run structural alerts using the RDKit and ChEMBL
Python MIT License UpdatedJun 19, 2020 -
antibiotic Public
Forked from PatWalters/antibioticReproducing results from "A Deep Learning Approach to Antibiotic Discovery"
Jupyter Notebook MIT License UpdatedMar 22, 2020 -
tabula Public
Forked from tabulapdf/tabulaTabula is a tool for liberating data tables trapped inside PDF files
CSS MIT License UpdatedMar 10, 2020 -
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smirnoff-host-guest-simulations Public
Forked from slochower/smirnoff-host-guest-simulationsHost-guest binding free energy calculations (mostly setup and analysis) using SMIRNOFF99Frosst.
Jupyter Notebook UpdatedAug 12, 2019 -
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