Official implementation for BioKinema
☆24Jun 26, 2026Updated last month
Alternatives and similar repositories for BioKinema
Users that are interested in BioKinema are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PyRosetta4 v2026-02-06 with (Global Interpreter Lock) disabled☆20Mar 22, 2026Updated 4 months ago
- [Neurips 2025] Official Implementation of ConfRover models☆28Feb 3, 2026Updated 6 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆18Apr 7, 2025Updated last year
- Metal and Water prediction☆15Feb 5, 2025Updated last year
- Biasing Conformational Sampling in AlphaFold 3 and Boltz-2 via Pair Representation Scaling☆29Jul 6, 2026Updated 3 weeks ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆62Dec 16, 2025Updated 7 months ago
- [ICLR'26] Towards All-Atom Foundation Models for Biomolecular Binding Affinity Prediction☆22Jul 9, 2026Updated 3 weeks ago
- A drop-in replacement for Rosetta Relax☆30Jan 30, 2026Updated 6 months ago
- Tokenizing Loops of Antibodies☆36Nov 23, 2025Updated 8 months ago
- ☆15Aug 8, 2025Updated 11 months ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆50Nov 4, 2025Updated 9 months ago
- Generative modeling of molecular dynamics trajectories☆223Mar 22, 2026Updated 4 months ago
- Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"☆86Jun 6, 2026Updated last month
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆100May 16, 2026Updated 2 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆62Mar 30, 2026Updated 4 months ago
- Metadiffusion implemented in Boltz-2☆24Feb 23, 2026Updated 5 months ago
- Learning Harmonic Molecular Representations on Riemannian Manifold, ICLR, 2023☆25Mar 23, 2023Updated 3 years ago
- ☆18Mar 14, 2026Updated 4 months ago
- ☆12May 12, 2025Updated last year
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆30Mar 19, 2026Updated 4 months ago
- ☆54May 29, 2026Updated 2 months ago
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆53Oct 27, 2025Updated 9 months ago
- Propose CDR single-point mutations that rescue antibody expression without disrupting antigen binding, using bound vs. unbound ProteinMPN…☆15May 26, 2026Updated 2 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆61Jan 19, 2026Updated 6 months ago
- ☆16Jul 9, 2024Updated 2 years ago
- ☆16Jun 3, 2025Updated last year
- ☆18Oct 29, 2025Updated 9 months ago
- ☆26Aug 25, 2023Updated 2 years ago
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆18Jul 6, 2025Updated last year
- An Open-source Drug Discovery Engine☆386Jul 23, 2026Updated last week
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- ☆10Aug 20, 2023Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆22Apr 10, 2025Updated last year
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆22Feb 23, 2026Updated 5 months ago
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 4 months ago
- de novo design of high affinity biological binders☆194Jun 22, 2026Updated last month
- Large Language Model--大模型学习笔记☆13Feb 11, 2026Updated 5 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- ☆19Aug 31, 2025Updated 11 months ago