Official repository for the Boltz biomolecular interaction models
- binding-prediction
- drug-discovery
- protein-structure
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Mesa is an open-source Python library for agent-based modeling, ideal for simulating complex systems and exploring emergent behaviors.
- mesa
- agent-based-modeling
- agent-based-simulation
- simulation-framework
This package contains deep learning models and related scripts for RoseTTAFold
Open-source, end-to-end platform for evaluating, observing, and improving LLM and AI agent applications. Tracing · Evals · Simulations · Datasets · Gateway · Guardrails. Self-hostable. Apache 2.0.
- ai-gateway
- observability
- simulation
- ai-agents
Bioinformatics'2020: BioBERT: a pre-trained biomedical language representation model for biomedical text mining
A full spaCy pipeline and models for scientific/biomedical documents.
- scientific-documents
- spacy
- custom-pipes
- nlp
MarS: a Financial Market Simulation Engine Powered by Generative Foundation Model
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
Biological foundation modeling from molecular to genome scale
[CONTRIBUTORS WELCOME] Generalized Additive Models in Python
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
- machine-learning
- generative-models
- drug-discovery
- benchmark
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
Module for statistical learning, with a particular emphasis on time-dependent modelling
- machine-learning
- python
- point-process
- optimization
A Python native dynamical system simulation framework in the block diagram paradigm.
- blockdiagram
- control-systems
- hierarchical-modeling
- nonlinear-dynamics
Unmanned Surface Vehicle simulation on Gazebo with water current and winds
- usv
- boat
- gazebo
- water-surface
The Complete Street Rule for ArcGIS CityEngine is a scenario oriented design tool intended to enable users to quickly create procedurally generated multimodal streets.
- complete
- streets
- transportation
- cityengine
The World's Most Comprehensive, Authoritative, and Structured Open Source Data Source Knowledge Base
- mcp
- data-sources
- ai
- awesome-list
An automatic code generator for nonlinear model predictive control (NMPC) and the continuation/GMRES method (C/GMRES) based numerical solvers for NMPC
- model-predictive-control
- nonlinear-model-predictive-control
- mpc
- nmpc
Batched NVIDIA MotionBricks: generate the motion of hundreds of characters in one model call.
- character-animation
- crowd-simulation
- motion-generation
- motionbricks
Inner ear models for Python
- python
- cochlea
- inner-ear
- model
MCP server for spatial transcriptomics analysis through natural language interfaces.
- bioinformatics
- cell-communication
- deconvolution
- machine-learning
Cryptographic Dataset Generation & Modelling Framework