aiagents4pharma 1.48.0__py3-none-any.whl → 1.48.1__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (16) hide show
  1. aiagents4pharma/talk2aiagents4pharma/Dockerfile +25 -15
  2. aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/.env.example +1 -1
  3. aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/docker-compose.yml +1 -1
  4. aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/.env.example +1 -1
  5. aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/docker-compose.yml +1 -1
  6. aiagents4pharma/talk2aiagents4pharma/install.md +32 -1
  7. aiagents4pharma/talk2knowledgegraphs/Dockerfile +28 -18
  8. aiagents4pharma/talk2knowledgegraphs/docker-compose/cpu/.env.example +1 -1
  9. aiagents4pharma/talk2knowledgegraphs/docker-compose/cpu/docker-compose.yml +1 -1
  10. aiagents4pharma/talk2knowledgegraphs/docker-compose/gpu/.env.example +1 -1
  11. aiagents4pharma/talk2knowledgegraphs/docker-compose/gpu/docker-compose.yml +1 -1
  12. aiagents4pharma/talk2knowledgegraphs/install.md +32 -1
  13. {aiagents4pharma-1.48.0.dist-info → aiagents4pharma-1.48.1.dist-info}/METADATA +1 -1
  14. {aiagents4pharma-1.48.0.dist-info → aiagents4pharma-1.48.1.dist-info}/RECORD +16 -16
  15. {aiagents4pharma-1.48.0.dist-info → aiagents4pharma-1.48.1.dist-info}/WHEEL +0 -0
  16. {aiagents4pharma-1.48.0.dist-info → aiagents4pharma-1.48.1.dist-info}/licenses/LICENSE +0 -0
aiagents4pharma/talk2aiagents4pharma/Dockerfile CHANGED
@@ -33,6 +33,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
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  && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
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  FROM python-install AS uv-install
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+ ARG INSTALL_CUDA=true
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  WORKDIR /app
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  # Install UV package manager and dependencies
@@ -42,14 +43,19 @@ RUN curl -LsSf https://astral.sh/uv/install.sh | sh && \
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  export UV_PROJECT_ENVIRONMENT="/opt/venv" && \
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  uv sync --frozen --extra dev --no-install-project --python python${PYTHON_VERSION} && \
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  . /opt/venv/bin/activate && \
46
+ if [ "$INSTALL_CUDA" = "true" ]; then \
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  uv pip install \
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  --extra-index-url=https://pypi.nvidia.com \
47
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  --index-strategy unsafe-best-match \
48
- cudf-cu12 dask-cudf-cu12 && \
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+ cudf-cu12 dask-cudf-cu12; \
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+ else \
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+ echo "Skipping RAPIDS packages for CPU build"; \
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+ fi && \
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  uv cache clean
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  FROM ${BASE_IMAGE} AS runtime
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  ARG PYTHON_VERSION=3.12
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+ ARG INSTALL_CUDA=true
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  LABEL maintainer="talk2aiagents4pharma"
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  LABEL version="1.0.0"
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  LABEL description="AI Agents for Pharma - Streamlit Application"
@@ -67,20 +73,24 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
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  && update-alternatives --install /usr/bin/python3 python3 /usr/bin/python${PYTHON_VERSION} 1 \
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  && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
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70
- # Install CUDA runtime libraries required by cudf/cupy
71
- RUN curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
72
- | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg \
73
- && echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
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- > /etc/apt/sources.list.d/nvidia-cuda.list \
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- && apt-get update \
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- && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
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- cuda-cudart-12-6 \
78
- cuda-cudart-dev-12-6 \
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- cuda-nvrtc-12-6 \
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- cuda-nvrtc-dev-12-6 \
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- libcublas-12-6 \
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- libcusparse-12-6 \
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- && rm -rf /var/lib/apt/lists/*
76
+ # Install CUDA runtime libraries required by cudf/cupy (optional)
77
+ RUN if [ "$INSTALL_CUDA" = "true" ]; then \
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+ curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
79
+ | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg && \
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+ echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
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+ > /etc/apt/sources.list.d/nvidia-cuda.list && \
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+ apt-get update && \
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+ DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
84
+ cuda-cudart-12-6 \
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+ cuda-cudart-dev-12-6 \
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+ cuda-nvrtc-12-6 \
87
+ cuda-nvrtc-dev-12-6 \
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+ libcublas-12-6 \
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+ libcusparse-12-6 \
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+ && rm -rf /var/lib/apt/lists/*; \
91
+ else \
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+ echo "Skipping CUDA installation"; \
93
+ fi
84
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  ENV LD_LIBRARY_PATH=/usr/local/cuda/lib64
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aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/.env.example CHANGED
@@ -11,7 +11,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
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11
  NVIDIA_API_KEY=your_nvidia_api_key_here
12
12
 
13
13
  # Set environment variables for data loader
14
- MILVUS_HOST=localhost
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+ MILVUS_HOST=milvus-standalone
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  MILVUS_PORT=19530
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  MILVUS_USER=root
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  MILVUS_PASSWORD=Milvus
aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/docker-compose.yml CHANGED
@@ -4,7 +4,7 @@ services:
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  # talk2aiagents4pharma with automatic data loading via entrypoint
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  talk2aiagents4pharma:
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  container_name: talk2aiagents4pharma
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- image: vpatientengine/talk2aiagents4pharma:latest
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+ image: vpatientengine/talk2aiagents4pharma:latest-cpu
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  platform: linux/amd64
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  ports:
10
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  - "8501:8501"
aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/.env.example CHANGED
@@ -11,7 +11,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
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  NVIDIA_API_KEY=your_nvidia_api_key_here
12
12
 
13
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  # Set environment variables for data loader
14
- MILVUS_HOST=localhost
14
+ MILVUS_HOST=milvus-standalone
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  MILVUS_PORT=19530
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  MILVUS_USER=root
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  MILVUS_PASSWORD=Milvus
aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/docker-compose.yml CHANGED
@@ -4,7 +4,7 @@ services:
4
4
  # talk2aiagents4pharma with automatic data loading via entrypoint
5
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  talk2aiagents4pharma:
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  container_name: talk2aiagents4pharma
7
- image: vpatientengine/talk2aiagents4pharma:latest
7
+ image: vpatientengine/talk2aiagents4pharma:latest-gpu
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  platform: linux/amd64
9
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  ports:
10
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  - "8501:8501"
aiagents4pharma/talk2aiagents4pharma/install.md CHANGED
@@ -53,7 +53,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
53
53
  NVIDIA_API_KEY=your_nvidia_api_key_here
54
54
 
55
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  # Set environment variables for data loader
56
- MILVUS_HOST=localhost
56
+ MILVUS_HOST=milvus-standalone
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  MILVUS_PORT=19530
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  MILVUS_USER=root
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  MILVUS_PASSWORD=Milvus
@@ -121,3 +121,34 @@ To resolve permission issues, you can:
121
121
 
122
122
  - Review the official Docker documentation on [Windows permission requirements](https://docs.docker.com/desktop/setup/install/windows-permission-requirements/).
123
123
  - Alternatively, follow the community discussion and solutions on [Docker Community Forums](https://forums.docker.com/t/error-when-trying-to-run-windows-containers-docker-client-must-be-run-with-elevated-privileges/136619).
124
+
125
+ ---
126
+
127
+ ### Build Images Locally
128
+
129
+ If you prefer to build the images yourself:
130
+
131
+ ```sh
132
+ git clone https://github.com/VirtualPatientEngine/AIAgents4Pharma.git
133
+ cd AIAgents4Pharma
134
+ ```
135
+
136
+ **GPU build** (overwrites the `latest-gpu` tag locally)
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+
138
+ ```sh
139
+ docker build --platform=linux/amd64 \
140
+ -t vpatientengine/talk2aiagents4pharma:latest-gpu \
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+ -f aiagents4pharma/talk2aiagents4pharma/Dockerfile \
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+ --build-arg INSTALL_CUDA=true \
143
+ .
144
+ ```
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+
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+ **CPU build** (overwrites the `latest-cpu` tag locally)
147
+
148
+ ```sh
149
+ docker build --platform=linux/amd64 \
150
+ -t vpatientengine/talk2aiagents4pharma:latest-cpu \
151
+ -f aiagents4pharma/talk2aiagents4pharma/Dockerfile \
152
+ --build-arg INSTALL_CUDA=false \
153
+ .
154
+ ```
aiagents4pharma/talk2knowledgegraphs/Dockerfile CHANGED
@@ -33,6 +33,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
33
33
  && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
34
34
 
35
35
  FROM python-install AS uv-install
36
+ ARG INSTALL_CUDA=true
36
37
  WORKDIR /app
37
38
 
38
39
  # Install UV package manager and dependencies
@@ -42,14 +43,19 @@ RUN curl -LsSf https://astral.sh/uv/install.sh | sh && \
42
43
  export UV_PROJECT_ENVIRONMENT="/opt/venv" && \
43
44
  uv sync --frozen --extra dev --no-install-project --python python${PYTHON_VERSION} && \
44
45
  . /opt/venv/bin/activate && \
45
- uv pip install \
46
- --extra-index-url=https://pypi.nvidia.com \
47
- --index-strategy unsafe-best-match \
48
- cudf-cu12 dask-cudf-cu12 && \
46
+ if [ "$INSTALL_CUDA" = "true" ]; then \
47
+ uv pip install \
48
+ --extra-index-url=https://pypi.nvidia.com \
49
+ --index-strategy unsafe-best-match \
50
+ cudf-cu12 dask-cudf-cu12; \
51
+ else \
52
+ echo "Skipping RAPIDS packages for CPU build"; \
53
+ fi && \
49
54
  uv cache clean
50
55
 
51
56
  FROM ${BASE_IMAGE} AS runtime
52
57
  ARG PYTHON_VERSION=3.12
58
+ ARG INSTALL_CUDA=true
53
59
  LABEL maintainer="talk2knowledgegraphs"
54
60
  LABEL version="1.0.0"
55
61
  LABEL description="AI Agents for Pharma - Knowledge Graphs Application"
@@ -67,20 +73,24 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
67
73
  && update-alternatives --install /usr/bin/python3 python3 /usr/bin/python${PYTHON_VERSION} 1 \
68
74
  && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
69
75
 
70
- # Install CUDA runtime libraries required by cudf/cupy
71
- RUN curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
72
- | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg \
73
- && echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
74
- > /etc/apt/sources.list.d/nvidia-cuda.list \
75
- && apt-get update \
76
- && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
77
- cuda-cudart-12-6 \
78
- cuda-cudart-dev-12-6 \
79
- cuda-nvrtc-12-6 \
80
- cuda-nvrtc-dev-12-6 \
81
- libcublas-12-6 \
82
- libcusparse-12-6 \
83
- && rm -rf /var/lib/apt/lists/*
76
+ # Install CUDA runtime libraries required by cudf/cupy (optional)
77
+ RUN if [ "$INSTALL_CUDA" = "true" ]; then \
78
+ curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
79
+ | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg && \
80
+ echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
81
+ > /etc/apt/sources.list.d/nvidia-cuda.list && \
82
+ apt-get update && \
83
+ DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
84
+ cuda-cudart-12-6 \
85
+ cuda-cudart-dev-12-6 \
86
+ cuda-nvrtc-12-6 \
87
+ cuda-nvrtc-dev-12-6 \
88
+ libcublas-12-6 \
89
+ libcusparse-12-6 \
90
+ && rm -rf /var/lib/apt/lists/*; \
91
+ else \
92
+ echo "Skipping CUDA installation"; \
93
+ fi
84
94
 
85
95
  ENV LD_LIBRARY_PATH=/usr/local/cuda/lib64
86
96
 
aiagents4pharma/talk2knowledgegraphs/docker-compose/cpu/.env.example CHANGED
@@ -11,7 +11,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
11
11
  NVIDIA_API_KEY=your_nvidia_api_key_here
12
12
 
13
13
  # Set environment variables for data loader
14
- MILVUS_HOST=localhost
14
+ MILVUS_HOST=milvus-standalone
15
15
  MILVUS_PORT=19530
16
16
  MILVUS_USER=root
17
17
  MILVUS_PASSWORD=Milvus
aiagents4pharma/talk2knowledgegraphs/docker-compose/cpu/docker-compose.yml CHANGED
@@ -4,7 +4,7 @@ services:
4
4
  # talk2knowledgegraphs with automatic data loading via entrypoint
5
5
  talk2knowledgegraphs:
6
6
  container_name: talk2knowledgegraphs
7
- image: vpatientengine/talk2knowledgegraphs:latest
7
+ image: vpatientengine/talk2knowledgegraphs:latest-cpu
8
8
  platform: linux/amd64
9
9
  ports:
10
10
  - "8501:8501"
aiagents4pharma/talk2knowledgegraphs/docker-compose/gpu/.env.example CHANGED
@@ -11,7 +11,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
11
11
  NVIDIA_API_KEY=your_nvidia_api_key_here
12
12
 
13
13
  # Set environment variables for data loader
14
- MILVUS_HOST=localhost
14
+ MILVUS_HOST=milvus-standalone
15
15
  MILVUS_PORT=19530
16
16
  MILVUS_USER=root
17
17
  MILVUS_PASSWORD=Milvus
aiagents4pharma/talk2knowledgegraphs/docker-compose/gpu/docker-compose.yml CHANGED
@@ -4,7 +4,7 @@ services:
4
4
  # talk2knowledgegraphs with automatic data loading via entrypoint
5
5
  talk2knowledgegraphs:
6
6
  container_name: talk2knowledgegraphs
7
- image: vpatientengine/talk2knowledgegraphs:latest
7
+ image: vpatientengine/talk2knowledgegraphs:latest-gpu
8
8
  platform: linux/amd64
9
9
  ports:
10
10
  - "8501:8501"
aiagents4pharma/talk2knowledgegraphs/install.md CHANGED
@@ -64,7 +64,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
64
64
  NVIDIA_API_KEY=your_nvidia_api_key_here
65
65
 
66
66
  # Set environment variables for data loader
67
- MILVUS_HOST=localhost
67
+ MILVUS_HOST=milvus-standalone
68
68
  MILVUS_PORT=19530
69
69
  MILVUS_USER=root
70
70
  MILVUS_PASSWORD=Milvus
@@ -132,3 +132,34 @@ To resolve permission issues, you can:
132
132
 
133
133
  - Review the official Docker documentation on [Windows permission requirements](https://docs.docker.com/desktop/setup/install/windows-permission-requirements/).
134
134
  - Alternatively, follow the community discussion and solutions on [Docker Community Forums](https://forums.docker.com/t/error-when-trying-to-run-windows-containers-docker-client-must-be-run-with-elevated-privileges/136619).
135
+
136
+ ---
137
+
138
+ ### Build Images Locally
139
+
140
+ To build the Docker images yourself:
141
+
142
+ ```sh
143
+ git clone https://github.com/VirtualPatientEngine/AIAgents4Pharma.git
144
+ cd AIAgents4Pharma
145
+ ```
146
+
147
+ **GPU build** (overwrites the `latest-gpu` tag locally)
148
+
149
+ ```sh
150
+ docker build --platform=linux/amd64 \
151
+ -t vpatientengine/talk2knowledgegraphs:latest-gpu \
152
+ -f aiagents4pharma/talk2knowledgegraphs/Dockerfile \
153
+ --build-arg INSTALL_CUDA=true \
154
+ .
155
+ ```
156
+
157
+ **CPU build** (overwrites the `latest-cpu` tag locally)
158
+
159
+ ```sh
160
+ docker build --platform=linux/amd64 \
161
+ -t vpatientengine/talk2knowledgegraphs:latest-cpu \
162
+ -f aiagents4pharma/talk2knowledgegraphs/Dockerfile \
163
+ --build-arg INSTALL_CUDA=false \
164
+ .
165
+ ```
{aiagents4pharma-1.48.0.dist-info → aiagents4pharma-1.48.1.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: aiagents4pharma
3
- Version: 1.48.0
3
+ Version: 1.48.1
4
4
  Summary: AI Agents for drug discovery, drug development, and other pharmaceutical R&D.
5
5
  License-File: LICENSE
6
6
  Classifier: License :: OSI Approved :: MIT License
{aiagents4pharma-1.48.0.dist-info → aiagents4pharma-1.48.1.dist-info}/RECORD RENAMED
@@ -1,9 +1,9 @@
1
1
  aiagents4pharma/__init__.py,sha256=B-tLRCbWgti-jlCnW_qknNKrG4j1t9nhBb-gXaz0Wtg,187
2
2
  aiagents4pharma/talk2aiagents4pharma/.dockerignore,sha256=-hAM7RzkGbjDeU411-kXOmYzNfl3Z9OlLWvN9zMDAXE,89
3
- aiagents4pharma/talk2aiagents4pharma/Dockerfile,sha256=DScrZujkLc5OY79XP5KSAfxiniQlZ5MWHkbtw534JY4,4295
3
+ aiagents4pharma/talk2aiagents4pharma/Dockerfile,sha256=yozGxCQVzd98dLs7DTLyQB_qfYZtYWtmhSqWsUfWL_Y,4542
4
4
  aiagents4pharma/talk2aiagents4pharma/README.md,sha256=0eGxj7jxi_LrCvX-4I4KrQv-7T2ivo3pqLslG7suaCk,74
5
5
  aiagents4pharma/talk2aiagents4pharma/__init__.py,sha256=gjVTAhBHKPEFBbv_2T-MWuDdwHhAKfWIo-lQSrcsLNE,97
6
- aiagents4pharma/talk2aiagents4pharma/install.md,sha256=5oyy9P8fd03x3f_jOFZTGg2G1AzxMIOrH2vVd8ZS4Iw,4201
6
+ aiagents4pharma/talk2aiagents4pharma/install.md,sha256=cJPJmg66mT9wCALF1eywKgJb2xKK2r9zbGTCZy6i128,4892
7
7
  aiagents4pharma/talk2aiagents4pharma/agents/__init__.py,sha256=NpNI6Vr9XIr5m0ZaO32c6NEUTDOZvJUqd8gKzNZhcSw,130
8
8
  aiagents4pharma/talk2aiagents4pharma/agents/main_agent.py,sha256=1nRIhj3huv9eVT7v3nhSvx1dDOEEaiApPi7AMRDviXE,2750
9
9
  aiagents4pharma/talk2aiagents4pharma/configs/__init__.py,sha256=hwLAR-uhZGEbD5R7mp4kiltSvxuKkG6-_ac17sF-4xU,68
@@ -13,10 +13,10 @@ aiagents4pharma/talk2aiagents4pharma/configs/agents/main_agent/default.yaml,sha2
13
13
  aiagents4pharma/talk2aiagents4pharma/configs/app/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
14
14
  aiagents4pharma/talk2aiagents4pharma/configs/app/frontend/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
15
15
  aiagents4pharma/talk2aiagents4pharma/configs/app/frontend/default.yaml,sha256=BpDv_Bau0F7xDPzMHVYxedKpZQAPdo0rAsRnfH32-U8,3470
16
- aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/.env.example,sha256=mfwCKG0bv6_IjEfIdQlEb6cnXsbaeAqC_U4kcIa03o0,574
17
- aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/docker-compose.yml,sha256=2I8jyzaFXSGsBMMFOZ4Hz7hAH3A-ELpoYCphkpT_8rA,2631
18
- aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/.env.example,sha256=mfwCKG0bv6_IjEfIdQlEb6cnXsbaeAqC_U4kcIa03o0,574
19
- aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/docker-compose.yml,sha256=bZwpaLynxyY6YOj2Sdz3MEVKgBY-FFXTC_K_KmZrMuM,3001
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