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kickstart.nvim Public
Forked from nvim-lua/kickstart.nvimA launch point for your personal nvim configuration
Lua MIT License UpdatedJul 3, 2025 -
lasagna Public
Forked from gmrqs/lasagnaA Docker Compose template that builds a interactive development environment for PySpark with Jupyter Lab, MinIO as object storage, Hive Metastore, Trino and Kafka
Jupyter Notebook UpdatedApr 7, 2025 -
hi-notebooks Public
A collection of notebooks documenting seminars on techniques shared within HI for knowledge archival.
Shell UpdatedFeb 1, 2025 -
gflownet Public
Forked from recursionpharma/gflownetGFlowNet library specialized for graph & molecular data
Python MIT License UpdatedOct 8, 2024 -
torchgfn Public
Forked from GFNOrg/torchgfnGFlowNet library
Jupyter Notebook Other UpdatedJul 30, 2024 -
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PCMol Public
Forked from CDDLeiden/PCMolMulti-target de novo molecular generator conditioned on AlphaFold latent embeddings.
Python MIT License UpdatedMar 7, 2024 -
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iced-coffeine Public
A polars based fork of Denis Engemann's coffeine library implementing covariance dataframes for predictive M/EEG pipelines.
Python MIT License UpdatedApr 21, 2023 -
coffeine Public
Forked from coffeine-labs/coffeineCovariance Data Frames for Predictive M/EEG Pipelines
Python MIT License UpdatedApr 21, 2023 -
rxnmapper Public
Forked from rxn4chemistry/rxnmapperRXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactio…
Python MIT License UpdatedMar 17, 2023 -
Rxitect Public
A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase synth…
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gflownet-original Public
Forked from GFNOrg/gflownetGenerative Flow Networks
Python MIT License UpdatedSep 30, 2022 -
selfies-rs Public
A Rust port of Self-Referencing Embedded Strings (SELFIES), for learning purposes.
Rust Apache License 2.0 UpdatedJun 25, 2022 -
rdkitcffi Public
Forked from chrissly31415/rdkitcffiRust wrapper for the RDKit using CFFI
C++ MIT License UpdatedMay 26, 2022 -
drugex-plus-r Public
A reduced and simplified version of the deep reinforcement learning-based drug molecule generator, DrugEx created by Xuhan Liu. Created to facilitate experimentation and expansion.
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patent-reaction-extraction Public
Forked from dan2097/patent-reaction-extractionText mining of chemical reactions
Java GNU General Public License v3.0 UpdatedAug 2, 2021 -
DrugEx Public
Forked from XuhanLiu/DrugExDe Novo Design of Drug Molecule by Pareto-based Multi-Objective Reinforcement Learning in Polypharmacology
Python MIT License UpdatedJul 22, 2021 -
faers-drug-norm Public
Repository for a project on standardizing drug name entries in spontaneous reporting system databases.
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aizynthfinder Public
Forked from MolecularAI/aizynthfinderA tool for retrosynthetic planning
Python MIT License UpdatedJun 25, 2021 -
chem-leach Public
A personal project entailing a remake of Daniel Lowe's code for chemical reaction extraction from (USPTO) patent application and grants, written in Rust.
Rust UpdatedJun 12, 2021 -
SPIDDOR Public
Forked from SPIDDOR/SPIDDORModeling, simulation and analysis of Boolean networks applied to Systems Pharmacology.
R UpdatedMay 27, 2021 -
uspto-downloader Public
Repo for the uspto downloader util to automatically and asynchronously (optional) download uspto files for data collection purposes.
Python UpdatedMay 9, 2021 -
vimrc Public
Forked from amix/vimrcThe ultimate Vim configuration (vimrc)
Vim Script MIT License UpdatedJan 25, 2021 -
base16-vim Public
Forked from chriskempson/base16-vimBase16 for Vim
Vim Script Other UpdatedJan 20, 2021 -
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drugstandards Public
Forked from mlbernauer/drugstandardsPython tools for standardizing drug names to generic names.
Python MIT License UpdatedMay 4, 2020
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