154 skills found · Page 2 of 6
TieuLongPhan / SynKitToolkit for synthesis planning
benmaier / EpipackFast prototyping of infectious-disease models based on reaction equations. Analyze the ODEs analytically or numerically, or run stochastic simulations on networks/well-mixed systems.
chop-dbhi / Twitter Adr BlstmA model for finding mentions of adverse drug reactions in Twitter posts
willfinnigan / KineticsPython package for modelling enzyme reactions using Monte carlo sampling from parameter distributions
alinaduca / BachelorsThesis UnityLabChemistry laboratory in Virtual Reality, made with Unity and Blender. Bachelor's thesis, year 2024. Keywords: VR, chemistry-lab, chemistry-models, experiments, chatbot, reactions
ssandrews / SmoldynSmoldyn is a particle-based biochemical simulator for modeling molecular diffusion, surface interactions, and chemical reactions
rxn4chemistry / RxnaamapperReaction SMILES-AA mapping via language modelling
opendilab / VocalCritic[NeurIPS 2025 AI for Music Workshop] Vocal Reaction Model and Benchmark
jluebeck / ReactionDiffusionSimulatorSimulate and visualize reaction-diffusion models and Turing patterns
StonyBrookNLP / Emotion Label SemanticsThis repository provides the code and dataset for the work published in the paper - Modeling Label Semantics for Predicting Emotional Reactions
resendislab / CordaAn implementation of genome-scale model reconstruction using Cost Optimization Reaction Dependency Assessment by Schultz et. al
lcmd-epfl / EquiReactCode to support the paper: P. van Gerwen, K. R. Briling, C. Bunne, V. R. Somnath, R. Laplaza, A. Krause, C. Corminboeuf, "3DReact: Geometric Deep Learning for Chemical Reactions", J. Chem. Inf. Model. 2024, 64, 5771−5785
BattModels / ElectrochemicalKinetics.jlElectrochemical reaction rate modeling and nonequilibrium phase maps (via AD)
LopezGroup-ICIQ / AmuseCode repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions
syr-cn / ReLM[EMNLP 2023] ReLM: Leveraging Language Models for Enhanced Chemical Reaction Prediction.
Eliasfarah0 / DsmcFoamPlus Case Setup For The 2D Orion Crew ModuleThis material provides the OpenFOAM case set-up files for the Orion Crew Module (OCM). The case set-up files are for the dsmcFoam+ solver and provide the mesh as well as the full set-up for the Orion Crew Module (OCM) in 2D using the QK chemical model. All reactions are implemented for a 5-species flow.
spatial-model-editor / Spatial Model EditorSpatial bio-chemical reaction model editor and simulator
VlachosGroup / OpenmkmOpensource software to model heterogeneous catalytic reactions. Based on Cantera
20171130 / NERFCode for our paper Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction (ICML 2021)
andreirekesh / SynCoGenSynthesizable 3D Molecule Generation via Joint Reaction and Coordinate Modeling
